Literature DB >> 21578596

Tetra-aqua-tetra-kis{μ(3)-3,3'-[(E,E)-ethane-1,2-diylbis(nitrilo-methyl-idyne)]benzene-1,2-diolato}octa-zinc(II) N,N-dimethyl-formamide hexa-solvate.

Qin-Juan Xu, Li-Rong Lin, Di Sun, Rong-Bin Huang, Lan-Sun Zheng.   

Abstract

The asymmetric unit of the title compound [Zn(8)(C(16)H(12)N(2)O(4))(4)(H(2)O)(4)]·6C(3)H(7)NO, consists of eight Zn(II) cations, four tetra-valent anionic ligands, L(4-) (L(4-) = 3,3'-(1E,1'E)-(ethane-1,2-diylbis(azan-1-yl-1-yl-idene))bis-(methan-1-yl-1-yl-idene)dibenzene-1,2-bis-(olate), four coordinated water mol-ecules and six N,N-dimethyl-formamide solvate mol-ecules. The coordination complex comprises an octa-nuclear Zn(II) unit with its Zn(II) centers coordinated in two discrete distorted square-pyramidal geometries. Four Zn(II) atoms each coordinate to two nitro-gen atoms and two phenolate oxygen atoms from an individual L(4-) ligand and one coordinated water mol-ecule. The other four Zn(II) atoms each bind to five phenolate oxygen atoms from three different L(4-) ligands. In the crystal structure, the Zn(II) complex unit, coordinated water mol-ecules and dimethyl-formamide solvate mol-ecules are linked via O-H⋯O and C-H⋯O hydrogen bonds. Mol-ecules are connected by additional inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, forming an extensive three dimensional framework.

Entities:  

Year:  2009        PMID: 21578596      PMCID: PMC2972079          DOI: 10.1107/S1600536809046923

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For applications of Schiff basemetal compounds, see: Xu et al. (2007 ▶); Wu et al. (2006 ▶); Cametti et al. (2008 ▶); Shi et al. (2009 ▶); Dochnahl et al. (2006 ▶); Wu et al. (2007 ▶); Rai et al. (2009 ▶). For the luminescence properties of zinc complexes, see: Yu et al. (2007 ▶); Kaplunov et al. (2008 ▶). For the geometrical analysis of polyhedra with coordination number 5, see: Addison et al. (1984 ▶). For Zn and Cd complexes of similar flexible, multidentate Schiff base ligands, see: Sanmartín et al. (2000 ▶). For synthesis of the ligand, see: Casellato et al. (1991 ▶); Miyamoto et al. (2002 ▶). For other related structures, see: Eltayeb et al. (2008 ▶); Chen et al. (2009 ▶); Miyamoto et al. (2002 ▶).

Experimental

Crystal data

[Zn8(C16H12N2O4)4(H2O)4]·6C3H7NO M = 2218.69 Triclinic, a = 13.5451 (4) Å b = 14.2114 (4) Å c = 25.0620 (6) Å α = 80.599 (2)° β = 76.519 (2)° γ = 72.734 (2)° V = 4456.9 (2) Å3 Z = 2 Mo Kα radiation μ = 2.20 mm−1 T = 298 K 0.31 × 0.20 × 0.15 mm

Data collection

Oxford Diffraction Gemini S Ultra diffractometer Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2008 ▶) T min = 0.516, T max = 0.719 51671 measured reflections 17430 independent reflections 13557 reflections with I > 2σ(I) R int = 0.027

Refinement

R[F 2 > 2σ(F 2)] = 0.030 wR(F 2) = 0.074 S = 1.04 17430 reflections 1184 parameters H-atom parameters constrained Δρmax = 0.62 e Å−3 Δρmin = −0.38 e Å−3 Data collection: CrysAlis CCD (Oxford Diffraction, 2008 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2008 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg 2008 ▶); software used to prepare material for publication: SHELXL97 and publCIF (Westrip, 2009 ▶). Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809046923/sj2663sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809046923/sj2663Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Zn8(C16H12N2O4)4(H2O)4]·6C3H7NOZ = 2
Mr = 2218.69F(000) = 2272
Triclinic, P1Dx = 1.653 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 13.5451 (4) ÅCell parameters from 28634 reflections
b = 14.2114 (4) Åθ = 2.2–29.6°
c = 25.0620 (6) ŵ = 2.20 mm1
α = 80.599 (2)°T = 298 K
β = 76.519 (2)°Block, brown
γ = 72.734 (2)°0.31 × 0.20 × 0.15 mm
V = 4456.9 (2) Å3
Oxford Diffraction Gemini S Ultra diffractometer17430 independent reflections
Radiation source: sealed tube13557 reflections with I > 2σ(I)
graphiteRint = 0.027
Detector resolution: 16.1903 pixels mm-1θmax = 26.0°, θmin = 2.2°
ω scansh = −16→16
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2008)k = −17→16
Tmin = 0.516, Tmax = 0.719l = −29→30
51671 measured reflections
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030H-atom parameters constrained
wR(F2) = 0.074w = 1/[σ2(Fo2) + (0.0409P)2] where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.003
17430 reflectionsΔρmax = 0.62 e Å3
1184 parametersΔρmin = −0.38 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00041 (9)
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/Ueq
Zn10.58891 (2)0.10447 (2)0.213483 (13)0.01687 (8)
Zn20.80680 (2)0.19208 (2)0.156595 (13)0.01673 (8)
Zn30.73308 (2)0.34202 (2)0.266806 (13)0.01630 (8)
Zn40.55372 (2)0.20850 (2)0.333987 (13)0.01730 (8)
Zn50.83945 (3)−0.07182 (2)0.184240 (14)0.02050 (8)
Zn60.73152 (3)0.45407 (2)0.127857 (13)0.01912 (8)
Zn70.77824 (3)0.19745 (2)0.392176 (13)0.01933 (8)
Zn80.33798 (2)0.27824 (2)0.262661 (13)0.01999 (8)
C10.2141 (3)0.7241 (3)0.08373 (17)0.0499 (10)
H10.18320.70990.05760.060*
C1C0.8622 (2)0.40167 (19)0.39310 (11)0.0182 (6)
C1B0.9186 (2)0.3732 (2)0.01636 (12)0.0241 (7)
C1D0.3966 (2)0.2325 (2)0.42770 (12)0.0225 (6)
C1A0.6574 (2)−0.1997 (2)0.19311 (12)0.0254 (7)
C20.2501 (5)0.8453 (4)0.1272 (2)0.0987 (19)
H2E0.25910.79310.15680.148*
H2F0.20490.90520.14180.148*
H2G0.31750.85550.10930.148*
C2C0.8892 (2)0.48897 (19)0.39659 (12)0.0218 (6)
H2C0.91730.49290.42640.026*
C2D0.3449 (2)0.2422 (2)0.48217 (12)0.0300 (7)
H2D0.38340.22030.51020.036*
C2B1.0036 (3)0.3434 (2)−0.02721 (13)0.0316 (8)
H2B1.02020.3900−0.05600.038*
C2A0.5831 (3)−0.2559 (2)0.20237 (14)0.0350 (8)
H2A0.6069−0.32410.20110.042*
C30.1452 (4)0.8978 (3)0.0545 (2)0.0874 (17)
H3E0.11260.87160.03240.131*
H3F0.19230.93290.03100.131*
H3G0.09180.94230.07800.131*
C3C0.8748 (2)0.56829 (19)0.35684 (12)0.0229 (6)
H3C0.89210.62550.35990.027*
C3B1.0624 (3)0.2467 (2)−0.02790 (13)0.0353 (8)
H3B1.11930.2280−0.05660.042*
C3D0.2367 (3)0.2839 (3)0.49561 (14)0.0388 (8)
H3D0.20330.29060.53220.047*
C3A0.4780 (3)−0.2119 (2)0.21299 (15)0.0409 (9)
H3A0.4303−0.25000.21970.049*
C41.0482 (2)0.3104 (2)0.13947 (13)0.0301 (7)
H40.98750.28890.15180.036*
C4C0.8339 (2)0.56161 (19)0.31181 (12)0.0215 (6)
H4C0.82540.61460.28450.026*
C4A0.4412 (3)−0.1086 (2)0.21383 (14)0.0359 (8)
H4A0.3691−0.07860.22100.043*
C4B1.0368 (3)0.1767 (2)0.01448 (13)0.0323 (8)
H4B1.07710.11120.01370.039*
C4D0.1802 (3)0.3147 (3)0.45482 (14)0.0375 (8)
H4D0.10800.34370.46390.045*
C51.1462 (3)0.1367 (2)0.13910 (15)0.0404 (9)
H5E1.07670.12730.14980.061*
H5F1.18530.10600.16770.061*
H5G1.18150.10710.10550.061*
C5B0.9529 (2)0.2019 (2)0.05793 (12)0.0232 (6)
C5C0.8055 (2)0.47775 (18)0.30671 (11)0.0161 (6)
C5A0.5113 (2)−0.0506 (2)0.20403 (13)0.0270 (7)
C5D0.2282 (2)0.3038 (2)0.39866 (13)0.0277 (7)
C61.2372 (2)0.2673 (2)0.11138 (14)0.0342 (8)
H6E1.22380.33800.10460.051*
H6F1.27350.23800.07780.051*
H6G1.28010.24300.13890.051*
C6C0.8181 (2)0.39579 (18)0.34848 (11)0.0161 (6)
C6D0.3372 (2)0.2611 (2)0.38467 (12)0.0212 (6)
C6B0.8935 (2)0.30250 (19)0.06029 (11)0.0196 (6)
C6A0.6209 (2)−0.09625 (19)0.19530 (11)0.0203 (6)
C70.8913 (5)0.3594 (7)0.5800 (3)0.135 (3)
H70.91310.41680.56820.162*
C7A0.7665 (2)−0.25372 (19)0.18511 (12)0.0252 (7)
H7A0.7820−0.32180.18420.030*
C7C0.8937 (2)0.3183 (2)0.43252 (12)0.0216 (6)
H7C0.93190.32560.45730.026*
C7B0.8577 (3)0.4759 (2)0.01193 (13)0.0289 (7)
H7B0.87350.5148−0.02080.035*
C7D0.1602 (2)0.3422 (2)0.35913 (13)0.0309 (7)
H7D0.09000.37390.37250.037*
C80.7623 (6)0.2688 (6)0.5940 (3)0.158 (3)
H8E0.82040.21400.60180.237*
H8F0.73370.25440.56560.237*
H8G0.70880.27940.62680.237*
C8A0.9512 (2)−0.2810 (2)0.17584 (14)0.0324 (8)
H81A0.9938−0.26810.14000.039*
H82A0.9514−0.35020.18110.039*
C8D0.1165 (2)0.3862 (2)0.27010 (13)0.0282 (7)
H81D0.05100.42520.29040.034*
H82D0.10070.33810.25240.034*
C8C0.9247 (3)0.1496 (2)0.46949 (13)0.0304 (7)
H81C0.87490.13360.50190.036*
H82C0.98220.16260.48140.036*
C8B0.7198 (3)0.6175 (2)0.04069 (13)0.0345 (8)
H81B0.73360.64240.00210.041*
H82B0.73500.66050.06220.041*
C90.7260 (4)0.4416 (4)0.5526 (2)0.102 (2)
H9E0.76080.49260.53730.152*
H9F0.66690.46630.58110.152*
H9G0.70180.42210.52410.152*
C9B0.6063 (3)0.6139 (2)0.05900 (13)0.0317 (7)
H91B0.55970.68050.06020.038*
H92B0.58780.58090.03330.038*
C9A0.9950 (3)−0.2573 (2)0.22101 (14)0.0350 (8)
H91A0.9651−0.28660.25650.042*
H92A1.0709−0.28460.21460.042*
C9C0.9665 (2)0.0644 (2)0.43302 (13)0.0290 (7)
H91C1.02640.07460.40510.035*
H92C0.98920.00220.45510.035*
C9D0.1704 (2)0.4525 (2)0.22754 (13)0.0281 (7)
H91D0.13280.47590.19730.034*
H92D0.17130.50950.24390.034*
C100.3447 (3)0.0277 (3)0.36853 (16)0.0445 (9)
H100.40720.02060.34260.053*
C10D0.3253 (2)0.42027 (19)0.15933 (12)0.0224 (6)
H10D0.28890.47600.13970.027*
C10C0.8789 (2)−0.0211 (2)0.39456 (12)0.0242 (6)
H10C0.9305−0.07700.40420.029*
C10A1.0164 (2)−0.1142 (2)0.24711 (13)0.0294 (7)
H10A1.0687−0.15910.26370.035*
C10B0.5053 (2)0.57722 (19)0.14589 (12)0.0237 (7)
H10B0.45030.62440.13240.028*
C110.4513 (3)−0.0297 (3)0.43927 (16)0.0503 (10)
H11E0.5082−0.03790.40780.075*
H11F0.4554−0.09180.46170.075*
H11G0.45630.01860.46050.075*
C11A0.9974 (2)−0.0103 (2)0.25361 (12)0.0236 (6)
C11B0.4809 (2)0.53101 (19)0.20115 (12)0.0203 (6)
C11D0.4305 (2)0.37002 (19)0.13263 (12)0.0202 (6)
C11C0.8038 (2)−0.03610 (19)0.36708 (12)0.0213 (6)
C120.2590 (3)0.0200 (3)0.46356 (16)0.0598 (11)
H12E0.19730.04340.44740.090*
H12F0.26050.06860.48560.090*
H12G0.2572−0.04090.48630.090*
C12B0.3796 (2)0.56990 (19)0.23208 (13)0.0255 (7)
H12B0.33210.62170.21580.031*
C12D0.4620 (2)0.4048 (2)0.07742 (12)0.0245 (7)
H12D0.41590.45750.06090.029*
C12A1.0654 (2)0.0127 (2)0.28119 (13)0.0284 (7)
H12A1.1183−0.03810.29410.034*
C12C0.8095 (2)−0.1356 (2)0.36281 (12)0.0257 (7)
H12C0.8605−0.18630.37730.031*
C130.5808 (2)0.4794 (2)0.40493 (15)0.0328 (8)
H130.57920.44470.37690.039*
C13A1.0554 (2)0.1087 (2)0.28957 (13)0.0277 (7)
H13A1.10150.12290.30740.033*
C13C0.7414 (2)−0.1588 (2)0.33772 (12)0.0274 (7)
H13C0.7449−0.22460.33600.033*
C13B0.3494 (2)0.5334 (2)0.28531 (13)0.0263 (7)
H13B0.28290.56130.30550.032*
C13D0.5593 (2)0.3626 (2)0.04734 (13)0.0272 (7)
H13D0.57820.38490.01040.033*
C140.5731 (3)0.6339 (3)0.43535 (15)0.0557 (11)
H14E0.57440.59390.47010.084*
H14F0.51320.69090.43920.084*
H14G0.63660.65510.42390.084*
C14D0.6290 (2)0.2861 (2)0.07284 (12)0.0225 (6)
H14D0.69530.25760.05270.027*
C14B0.4192 (2)0.45412 (19)0.30894 (12)0.0234 (6)
H14B0.39870.42930.34530.028*
C14A0.9749 (2)0.1844 (2)0.27075 (12)0.0233 (6)
H14A0.96770.24940.27620.028*
C14C0.6665 (2)−0.0826 (2)0.31476 (11)0.0227 (6)
H14C0.6191−0.09810.29840.027*
C150.5546 (3)0.6268 (2)0.34034 (14)0.0404 (9)
H15E0.55540.58020.31630.061*
H15F0.61190.65610.32560.061*
H15G0.48910.67760.34320.061*
C15D0.6021 (2)0.25160 (18)0.12719 (11)0.0176 (6)
C15A0.9058 (2)0.16483 (19)0.24431 (12)0.0191 (6)
C15C0.6618 (2)0.01553 (19)0.31594 (11)0.0188 (6)
C15B0.5185 (2)0.41096 (19)0.27982 (11)0.0180 (6)
C16D0.5004 (2)0.29110 (18)0.15854 (11)0.0169 (6)
C16A0.9156 (2)0.06531 (19)0.23497 (11)0.0182 (6)
C16B0.5528 (2)0.45070 (18)0.22506 (11)0.0169 (6)
C16C0.7277 (2)0.04129 (18)0.34439 (11)0.0185 (6)
C170.4503 (3)0.0572 (3)0.08184 (18)0.0706 (13)
H17E0.45880.12280.07770.106*
H17F0.41900.04070.11940.106*
H17G0.40550.05430.05790.106*
C180.5566 (3)−0.1142 (3)0.06355 (16)0.0559 (11)
H18E0.6274−0.14970.04860.084*
H18F0.5105−0.11530.03990.084*
H18G0.5342−0.14500.09960.084*
C190.6415 (3)0.0134 (3)0.06428 (14)0.0427 (9)
H190.63520.07770.07080.051*
O10.2605 (3)0.6555 (2)0.11090 (17)0.0970 (13)
O8W0.30266 (15)0.15555 (14)0.24940 (8)0.0256 (5)
H81W0.27730.12770.28000.031*
H82W0.35840.11570.23390.031*
O1D0.50073 (15)0.19540 (14)0.41391 (8)0.0220 (4)
O1B0.81689 (15)0.32218 (12)0.10517 (7)0.0194 (4)
O1A0.68279 (14)−0.03548 (12)0.19083 (7)0.0186 (4)
O1C0.78585 (14)0.31941 (12)0.34143 (7)0.0180 (4)
O21.03713 (16)0.40089 (15)0.13284 (9)0.0334 (5)
O7W0.64676 (15)0.23407 (14)0.45143 (8)0.0263 (5)
H21W0.63250.29500.45590.032*
H22W0.59550.22290.44170.032*
O2A0.47880 (15)0.04808 (14)0.20358 (9)0.0282 (5)
O2D0.39208 (14)0.24724 (13)0.33367 (8)0.0201 (4)
O2B0.92675 (15)0.13516 (13)0.09903 (8)0.0246 (5)
O2C0.76505 (15)0.47051 (12)0.26465 (8)0.0204 (4)
O3D0.47934 (14)0.25003 (12)0.21030 (7)0.0178 (4)
O6W0.83069 (15)0.50272 (13)0.16033 (8)0.0225 (4)
H61W0.89400.46980.14950.027*
H62W0.81460.49510.19530.027*
O3B0.65072 (14)0.40850 (12)0.20064 (7)0.0181 (4)
O3C0.71186 (14)0.13808 (12)0.34707 (8)0.0181 (4)
O3A0.84752 (14)0.05388 (12)0.20766 (8)0.0184 (4)
O30.9531 (4)0.2817 (5)0.6008 (3)0.202 (3)
O40.2608 (2)0.0592 (2)0.35162 (11)0.0518 (7)
O4D0.66932 (14)0.17732 (12)0.15300 (7)0.0185 (4)
O5W0.88746 (16)−0.03509 (13)0.10237 (8)0.0276 (5)
H51W0.8385−0.03080.08540.033*
H52W0.90220.02010.09780.033*
O4B0.58757 (14)0.33431 (12)0.30257 (7)0.0178 (4)
O4C0.59075 (14)0.09108 (13)0.29267 (8)0.0196 (4)
O4A0.83037 (14)0.23753 (12)0.22337 (8)0.0185 (4)
O50.59684 (18)0.43137 (16)0.44929 (10)0.0377 (6)
O60.7304 (2)−0.04288 (19)0.05325 (10)0.0520 (7)
N10.2031 (2)0.8182 (2)0.08764 (14)0.0470 (8)
N1B0.7843 (2)0.51637 (16)0.04943 (10)0.0261 (6)
N1A0.84363 (19)−0.21777 (16)0.17922 (10)0.0242 (6)
N1C0.87322 (19)0.23543 (17)0.43600 (10)0.0240 (5)
N2B0.5950 (2)0.55929 (16)0.11393 (10)0.0229 (5)
N2A0.96830 (19)−0.14941 (16)0.22094 (11)0.0275 (6)
N2C0.88149 (19)0.06168 (16)0.40698 (10)0.0228 (5)
N21.13880 (19)0.24177 (17)0.13052 (10)0.0254 (6)
N3D0.18858 (18)0.33626 (17)0.30733 (10)0.0250 (6)
N30.7987 (3)0.3572 (4)0.57561 (17)0.0816 (13)
N40.3513 (2)0.0037 (2)0.42079 (12)0.0363 (7)
N4D0.27811 (18)0.39471 (16)0.20743 (10)0.0216 (5)
N50.5657 (2)0.57631 (19)0.39416 (11)0.0329 (6)
N60.5530 (2)−0.0133 (2)0.06739 (12)0.0448 (8)
U11U22U33U12U13U23
Zn10.01684 (17)0.01506 (15)0.01851 (19)−0.00493 (12)−0.00191 (13)−0.00222 (12)
Zn20.01680 (17)0.01434 (15)0.01752 (19)−0.00437 (13)−0.00026 (13)−0.00150 (12)
Zn30.01629 (17)0.01574 (15)0.01695 (19)−0.00405 (13)−0.00349 (13)−0.00203 (12)
Zn40.01506 (17)0.01794 (15)0.01865 (19)−0.00449 (13)−0.00190 (13)−0.00314 (12)
Zn50.01959 (18)0.01326 (15)0.0263 (2)−0.00348 (13)−0.00193 (14)−0.00097 (13)
Zn60.02454 (19)0.01410 (15)0.01618 (19)−0.00227 (13)−0.00298 (14)−0.00138 (12)
Zn70.02089 (18)0.01696 (16)0.0218 (2)−0.00664 (13)−0.00869 (14)0.00268 (13)
Zn80.01472 (17)0.02301 (17)0.0203 (2)−0.00227 (13)−0.00264 (14)−0.00327 (13)
C10.037 (2)0.047 (2)0.066 (3)−0.0106 (18)−0.016 (2)0.0011 (19)
C1C0.0133 (14)0.0202 (13)0.0208 (17)−0.0032 (11)−0.0024 (12)−0.0049 (11)
C1B0.0337 (18)0.0196 (14)0.0179 (17)−0.0101 (13)0.0001 (13)−0.0008 (11)
C1D0.0219 (16)0.0244 (15)0.0214 (18)−0.0096 (12)−0.0009 (13)−0.0018 (12)
C1A0.0319 (18)0.0202 (14)0.0269 (18)−0.0092 (13)−0.0063 (14)−0.0058 (12)
C20.120 (5)0.066 (3)0.128 (5)−0.033 (3)−0.057 (4)0.003 (3)
C2C0.0179 (15)0.0229 (14)0.0262 (18)−0.0038 (12)−0.0054 (13)−0.0085 (12)
C2D0.0290 (18)0.0436 (18)0.0174 (18)−0.0106 (15)−0.0029 (14)−0.0040 (13)
C2B0.040 (2)0.0266 (16)0.0252 (19)−0.0158 (15)0.0074 (15)−0.0006 (13)
C2A0.041 (2)0.0242 (16)0.045 (2)−0.0138 (15)−0.0103 (17)−0.0077 (14)
C30.067 (3)0.060 (3)0.116 (5)−0.003 (2)−0.035 (3)0.041 (3)
C3C0.0249 (16)0.0162 (13)0.0288 (18)−0.0065 (12)−0.0031 (13)−0.0071 (12)
C3B0.037 (2)0.0340 (17)0.026 (2)−0.0114 (15)0.0153 (15)−0.0071 (14)
C3D0.033 (2)0.060 (2)0.0200 (19)−0.0145 (17)0.0055 (15)−0.0075 (16)
C3A0.042 (2)0.0313 (18)0.059 (3)−0.0214 (16)−0.0106 (18)−0.0107 (16)
C40.0274 (18)0.0356 (18)0.029 (2)−0.0120 (14)−0.0052 (14)−0.0005 (14)
C4C0.0220 (16)0.0178 (13)0.0226 (17)−0.0049 (12)−0.0021 (13)−0.0004 (11)
C4A0.0257 (18)0.0320 (17)0.053 (2)−0.0092 (14)−0.0079 (16)−0.0084 (15)
C4B0.0343 (19)0.0211 (15)0.032 (2)−0.0050 (13)0.0094 (15)−0.0045 (13)
C4D0.0198 (17)0.055 (2)0.030 (2)−0.0030 (15)0.0053 (15)−0.0114 (16)
C50.032 (2)0.0316 (18)0.056 (3)−0.0118 (15)−0.0036 (17)0.0002 (16)
C5B0.0251 (17)0.0206 (14)0.0214 (17)−0.0079 (12)0.0044 (13)−0.0050 (12)
C5C0.0103 (14)0.0185 (13)0.0179 (16)−0.0019 (11)−0.0003 (11)−0.0047 (11)
C5A0.0292 (18)0.0219 (15)0.0337 (19)−0.0092 (13)−0.0048 (14)−0.0114 (13)
C5D0.0200 (16)0.0348 (17)0.0265 (19)−0.0061 (13)−0.0005 (13)−0.0064 (13)
C60.0275 (18)0.0346 (17)0.038 (2)−0.0122 (15)−0.0004 (15)0.0000 (14)
C6C0.0097 (13)0.0161 (13)0.0216 (16)−0.0033 (10)0.0002 (11)−0.0043 (11)
C6D0.0175 (15)0.0260 (15)0.0208 (17)−0.0098 (12)0.0017 (12)−0.0052 (12)
C6B0.0225 (16)0.0189 (13)0.0176 (16)−0.0092 (12)0.0016 (12)−0.0037 (11)
C6A0.0252 (16)0.0188 (13)0.0195 (16)−0.0097 (12)−0.0032 (12)−0.0043 (11)
C70.051 (4)0.236 (9)0.115 (6)−0.004 (5)−0.021 (4)−0.066 (6)
C7A0.0351 (18)0.0125 (13)0.0280 (18)−0.0057 (13)−0.0044 (14)−0.0059 (12)
C7C0.0189 (15)0.0278 (15)0.0198 (17)−0.0059 (12)−0.0069 (12)−0.0035 (12)
C7B0.042 (2)0.0240 (15)0.0207 (18)−0.0146 (14)−0.0006 (15)0.0016 (12)
C7D0.0165 (16)0.0416 (18)0.031 (2)−0.0036 (14)0.0010 (14)−0.0103 (15)
C80.143 (7)0.171 (8)0.156 (8)−0.056 (6)0.042 (6)−0.086 (6)
C8A0.0309 (19)0.0172 (14)0.042 (2)−0.0008 (13)−0.0008 (15)−0.0034 (13)
C8D0.0162 (16)0.0365 (17)0.0294 (19)−0.0021 (13)−0.0042 (13)−0.0059 (14)
C8C0.041 (2)0.0262 (16)0.030 (2)−0.0131 (14)−0.0216 (16)0.0090 (13)
C8B0.054 (2)0.0173 (15)0.0232 (19)−0.0037 (15)−0.0033 (16)0.0047 (12)
C90.071 (4)0.145 (5)0.079 (4)0.014 (4)−0.024 (3)−0.050 (4)
C9B0.042 (2)0.0244 (16)0.0246 (19)−0.0006 (14)−0.0136 (15)0.0031 (13)
C9A0.0322 (19)0.0161 (14)0.051 (2)−0.0008 (13)−0.0101 (16)0.0045 (14)
C9C0.0285 (18)0.0253 (15)0.034 (2)−0.0038 (13)−0.0197 (15)0.0076 (13)
C9D0.0206 (16)0.0250 (15)0.036 (2)0.0030 (12)−0.0080 (14)−0.0093 (13)
C100.036 (2)0.053 (2)0.040 (2)−0.0151 (18)−0.0045 (18)0.0066 (17)
C10D0.0228 (16)0.0161 (13)0.0296 (19)−0.0015 (12)−0.0129 (14)−0.0014 (12)
C10C0.0249 (17)0.0192 (14)0.0242 (18)−0.0020 (12)−0.0054 (13)0.0033 (12)
C10A0.0224 (17)0.0218 (15)0.038 (2)−0.0007 (13)−0.0056 (14)0.0039 (13)
C10B0.0270 (17)0.0161 (13)0.0308 (19)−0.0014 (12)−0.0163 (14)−0.0031 (12)
C110.041 (2)0.060 (2)0.052 (3)−0.0193 (19)−0.0200 (19)0.0124 (19)
C11A0.0196 (16)0.0253 (15)0.0220 (17)−0.0044 (12)−0.0015 (13)0.0024 (12)
C11B0.0209 (16)0.0163 (13)0.0272 (18)−0.0047 (11)−0.0082 (13)−0.0076 (12)
C11D0.0212 (16)0.0179 (13)0.0231 (17)−0.0065 (12)−0.0060 (12)−0.0020 (11)
C11C0.0227 (16)0.0207 (14)0.0174 (16)−0.0053 (12)−0.0009 (12)0.0016 (11)
C120.041 (2)0.086 (3)0.045 (3)−0.020 (2)0.002 (2)0.004 (2)
C12B0.0185 (16)0.0147 (13)0.045 (2)0.0004 (11)−0.0129 (14)−0.0066 (13)
C12D0.0270 (17)0.0241 (15)0.0235 (18)−0.0052 (13)−0.0117 (14)0.0010 (12)
C12A0.0187 (16)0.0304 (16)0.033 (2)−0.0030 (13)−0.0091 (14)0.0032 (13)
C12C0.0325 (18)0.0171 (14)0.0233 (18)−0.0014 (12)−0.0064 (14)0.0017 (12)
C130.0215 (17)0.0371 (18)0.042 (2)−0.0062 (14)−0.0009 (15)−0.0205 (16)
C13A0.0191 (16)0.0348 (17)0.0322 (19)−0.0110 (13)−0.0061 (14)−0.0032 (14)
C13C0.0398 (19)0.0170 (14)0.0246 (18)−0.0087 (13)−0.0038 (14)−0.0019 (12)
C13B0.0186 (16)0.0210 (14)0.038 (2)−0.0027 (12)−0.0006 (14)−0.0116 (13)
C13D0.0332 (19)0.0317 (16)0.0177 (17)−0.0109 (14)−0.0071 (14)0.0017 (12)
C140.085 (3)0.044 (2)0.041 (2)−0.025 (2)0.002 (2)−0.0200 (18)
C14D0.0224 (16)0.0260 (15)0.0192 (17)−0.0074 (12)−0.0019 (13)−0.0036 (12)
C14B0.0237 (16)0.0204 (14)0.0259 (18)−0.0067 (12)0.0001 (13)−0.0076 (12)
C14A0.0194 (16)0.0234 (14)0.0274 (18)−0.0080 (12)−0.0017 (13)−0.0031 (12)
C14C0.0287 (17)0.0230 (14)0.0189 (17)−0.0125 (13)−0.0023 (13)−0.0021 (12)
C150.034 (2)0.0408 (19)0.045 (2)−0.0025 (16)−0.0109 (17)−0.0117 (16)
C15D0.0199 (15)0.0171 (13)0.0169 (16)−0.0061 (11)−0.0044 (12)−0.0014 (11)
C15A0.0112 (14)0.0207 (14)0.0215 (17)−0.0030 (11)0.0014 (12)−0.0008 (11)
C15C0.0181 (15)0.0197 (14)0.0146 (16)−0.0045 (11)0.0025 (12)0.0001 (11)
C15B0.0173 (15)0.0178 (13)0.0203 (17)−0.0050 (11)−0.0035 (12)−0.0054 (11)
C16D0.0190 (15)0.0178 (13)0.0166 (16)−0.0059 (11)−0.0062 (12)−0.0035 (11)
C16A0.0141 (14)0.0225 (14)0.0164 (16)−0.0069 (11)0.0012 (11)−0.0004 (11)
C16B0.0176 (15)0.0136 (12)0.0226 (17)−0.0051 (11)−0.0056 (12)−0.0069 (11)
C16C0.0204 (15)0.0162 (13)0.0159 (16)−0.0065 (11)0.0014 (12)0.0026 (11)
C170.053 (3)0.084 (3)0.049 (3)0.022 (2)−0.012 (2)−0.009 (2)
C180.069 (3)0.057 (2)0.047 (3)−0.021 (2)−0.016 (2)−0.0057 (19)
C190.048 (2)0.040 (2)0.037 (2)−0.0070 (18)−0.0011 (18)−0.0144 (16)
O10.103 (3)0.0353 (16)0.165 (4)−0.0102 (17)−0.084 (3)0.0227 (19)
O8W0.0199 (11)0.0258 (10)0.0300 (13)−0.0074 (9)−0.0011 (9)−0.0033 (9)
O1D0.0172 (11)0.0290 (10)0.0200 (12)−0.0073 (8)−0.0032 (8)−0.0018 (8)
O1B0.0225 (11)0.0149 (9)0.0169 (11)−0.0042 (8)0.0033 (8)−0.0019 (7)
O1A0.0189 (10)0.0165 (9)0.0197 (11)−0.0063 (8)0.0003 (8)−0.0033 (7)
O1C0.0216 (11)0.0155 (9)0.0198 (11)−0.0070 (8)−0.0083 (8)0.0000 (7)
O20.0306 (13)0.0307 (12)0.0384 (14)−0.0079 (10)−0.0061 (10)−0.0040 (10)
O7W0.0264 (12)0.0328 (11)0.0251 (12)−0.0118 (9)−0.0072 (9)−0.0073 (9)
O2A0.0198 (11)0.0222 (10)0.0452 (14)−0.0046 (9)−0.0061 (10)−0.0130 (9)
O2D0.0144 (10)0.0270 (10)0.0177 (11)−0.0042 (8)−0.0011 (8)−0.0047 (8)
O2B0.0249 (11)0.0158 (9)0.0261 (12)−0.0048 (8)0.0080 (9)−0.0022 (8)
O2C0.0282 (11)0.0161 (9)0.0189 (11)−0.0072 (8)−0.0082 (9)0.0001 (8)
O3D0.0179 (10)0.0179 (9)0.0155 (11)−0.0039 (8)−0.0016 (8)−0.0002 (7)
O6W0.0273 (11)0.0196 (10)0.0193 (12)−0.0060 (8)−0.0020 (9)−0.0023 (8)
O3B0.0168 (10)0.0165 (9)0.0183 (11)−0.0004 (8)−0.0033 (8)−0.0021 (7)
O3C0.0197 (10)0.0138 (9)0.0211 (11)−0.0042 (8)−0.0063 (8)−0.0002 (7)
O3A0.0165 (10)0.0158 (9)0.0229 (12)−0.0045 (8)−0.0047 (8)−0.0002 (8)
O30.104 (4)0.224 (7)0.270 (8)0.043 (4)−0.106 (5)−0.061 (6)
O40.0406 (16)0.0706 (18)0.0457 (17)−0.0214 (14)−0.0199 (13)0.0188 (13)
O4D0.0149 (10)0.0179 (9)0.0193 (11)−0.0019 (8)−0.0019 (8)0.0010 (7)
O5W0.0310 (12)0.0202 (10)0.0293 (13)−0.0089 (9)0.0031 (10)−0.0051 (8)
O4B0.0172 (10)0.0161 (9)0.0190 (11)−0.0035 (8)−0.0037 (8)−0.0005 (7)
O4C0.0223 (11)0.0174 (9)0.0187 (11)−0.0046 (8)−0.0040 (8)−0.0021 (8)
O4A0.0173 (10)0.0148 (9)0.0222 (11)−0.0016 (8)−0.0039 (8)−0.0034 (8)
O50.0405 (15)0.0359 (13)0.0365 (16)−0.0113 (11)0.0006 (12)−0.0125 (11)
O60.0431 (17)0.0649 (17)0.0472 (18)−0.0088 (14)−0.0011 (13)−0.0249 (13)
N10.0401 (19)0.0296 (16)0.068 (2)−0.0043 (13)−0.0206 (16)0.0076 (14)
N1B0.0364 (16)0.0187 (12)0.0188 (15)−0.0052 (11)−0.0029 (12)0.0030 (10)
N1A0.0258 (14)0.0132 (11)0.0294 (15)−0.0022 (10)−0.0003 (11)−0.0031 (10)
N1C0.0273 (14)0.0236 (13)0.0240 (15)−0.0087 (11)−0.0124 (11)0.0033 (10)
N2B0.0314 (15)0.0176 (11)0.0189 (14)−0.0017 (10)−0.0106 (11)−0.0006 (9)
N2A0.0238 (14)0.0176 (12)0.0377 (17)−0.0030 (10)−0.0060 (12)0.0017 (11)
N2C0.0254 (14)0.0216 (12)0.0203 (14)−0.0045 (10)−0.0089 (11)0.0044 (10)
N20.0214 (14)0.0257 (13)0.0288 (16)−0.0089 (11)−0.0018 (11)−0.0022 (10)
N3D0.0171 (13)0.0308 (13)0.0262 (16)−0.0040 (11)−0.0040 (11)−0.0058 (11)
N30.047 (3)0.127 (4)0.063 (3)0.000 (3)−0.003 (2)−0.043 (3)
N40.0301 (16)0.0447 (16)0.0319 (18)−0.0144 (13)−0.0062 (13)0.0107 (13)
N4D0.0153 (13)0.0216 (12)0.0271 (16)−0.0025 (10)−0.0035 (11)−0.0055 (10)
N50.0306 (16)0.0328 (15)0.0346 (18)−0.0089 (12)0.0034 (13)−0.0150 (12)
N60.0412 (19)0.0437 (17)0.042 (2)0.0008 (14)−0.0090 (15)−0.0052 (14)
Zn1—O4C1.9679 (19)C8A—H81A0.9700
Zn1—O2A1.9686 (18)C8A—H82A0.9700
Zn1—O4D1.9857 (18)C8D—N3D1.458 (4)
Zn1—O1A2.1037 (17)C8D—C9D1.508 (4)
Zn1—O3D2.1604 (18)C8D—H81D0.9700
Zn2—O4D1.9586 (18)C8D—H82D0.9700
Zn2—O2B1.9707 (19)C8C—N1C1.453 (4)
Zn2—O4A2.0111 (18)C8C—C9C1.528 (4)
Zn2—O1B2.0945 (17)C8C—H81C0.9700
Zn2—O3A2.1599 (18)C8C—H82C0.9700
Zn3—O4A1.9556 (17)C8B—N1B1.455 (4)
Zn3—O2C1.9877 (17)C8B—C9B1.513 (4)
Zn3—O4B1.9930 (18)C8B—H81B0.9700
Zn3—O1C2.0982 (18)C8B—H82B0.9700
Zn3—O3B2.1476 (18)C9—N31.442 (6)
Zn4—O1D1.9618 (19)C9—H9E0.9600
Zn4—O4B1.9712 (17)C9—H9F0.9600
Zn4—O4C1.9832 (17)C9—H9G0.9600
Zn4—O2D2.0947 (18)C9B—N2B1.464 (4)
Zn4—O3C2.1553 (18)C9B—H91B0.9700
Zn5—O1A2.0026 (18)C9B—H92B0.9700
Zn5—O3A2.0090 (17)C9A—N2A1.467 (3)
Zn5—O5W2.033 (2)C9A—H91A0.9700
Zn5—N1A2.082 (2)C9A—H92A0.9700
Zn5—N2A2.094 (2)C9C—N2C1.462 (3)
Zn6—O1B1.9821 (17)C9C—H91C0.9700
Zn6—O3B2.0121 (18)C9C—H92C0.9700
Zn6—O6W2.0468 (18)C9D—N4D1.463 (3)
Zn6—N2B2.066 (2)C9D—H91D0.9700
Zn6—N1B2.076 (2)C9D—H92D0.9700
Zn7—O1C1.9892 (17)C10—O41.238 (4)
Zn7—O3C2.0084 (17)C10—N41.315 (4)
Zn7—O7W2.029 (2)C10—H100.9300
Zn7—N2C2.055 (2)C10D—N4D1.276 (4)
Zn7—N1C2.102 (2)C10D—C11D1.448 (4)
Zn8—O2D2.0145 (19)C10D—H10D0.9300
Zn8—O3D2.0233 (18)C10C—N2C1.278 (3)
Zn8—O8W2.0341 (18)C10C—C11C1.434 (4)
Zn8—N3D2.070 (2)C10C—H10C0.9300
Zn8—N4D2.072 (2)C10A—N2A1.266 (4)
C1—O11.195 (4)C10A—C11A1.451 (4)
C1—N11.319 (4)C10A—H10A0.9300
C1—H10.9300C10B—N2B1.270 (4)
C1C—C6C1.409 (4)C10B—C11B1.441 (4)
C1C—C2C1.414 (3)C10B—H10B0.9300
C1C—C7C1.441 (4)C11—N41.454 (4)
C1B—C2B1.404 (4)C11—H11E0.9600
C1B—C6B1.416 (4)C11—H11F0.9600
C1B—C7B1.448 (4)C11—H11G0.9600
C1D—O1D1.334 (3)C11A—C16A1.404 (4)
C1D—C2D1.389 (4)C11A—C12A1.408 (4)
C1D—C6D1.429 (4)C11B—C12B1.408 (4)
C1A—C6A1.411 (4)C11B—C16B1.414 (4)
C1A—C2A1.419 (4)C11D—C12D1.402 (4)
C1A—C7A1.433 (4)C11D—C16D1.412 (4)
C2—N11.450 (6)C11C—C16C1.411 (4)
C2—H2E0.9600C11C—C12C1.414 (4)
C2—H2F0.9600C12—N41.432 (4)
C2—H2G0.9600C12—H12E0.9600
C2C—C3C1.376 (4)C12—H12F0.9600
C2C—H2C0.9300C12—H12G0.9600
C2D—C3D1.390 (4)C12B—C13B1.364 (4)
C2D—H2D0.9300C12B—H12B0.9300
C2B—C3B1.370 (4)C12D—C13D1.371 (4)
C2B—H2B0.9300C12D—H12D0.9300
C2A—C3A1.356 (5)C12A—C13A1.376 (4)
C2A—H2A0.9300C12A—H12A0.9300
C3—N11.434 (5)C12C—C13C1.369 (4)
C3—H3E0.9600C12C—H12C0.9300
C3—H3F0.9600C13—O51.235 (4)
C3—H3G0.9600C13—N51.322 (4)
C3C—C4C1.396 (4)C13—H130.9300
C3C—H3C0.9300C13A—C14A1.395 (4)
C3B—C4B1.388 (4)C13A—H13A0.9300
C3B—H3B0.9300C13C—C14C1.395 (4)
C3D—C4D1.357 (5)C13C—H13C0.9300
C3D—H3D0.9300C13B—C14B1.387 (4)
C3A—C4A1.405 (4)C13B—H13B0.9300
C3A—H3A0.9300C13D—C14D1.389 (4)
C4—O21.237 (3)C13D—H13D0.9300
C4—N21.319 (4)C14—N51.456 (4)
C4—H40.9300C14—H14E0.9600
C4C—C5C1.389 (3)C14—H14F0.9600
C4C—H4C0.9300C14—H14G0.9600
C4A—C5A1.390 (4)C14D—C15D1.373 (4)
C4A—H4A0.9300C14D—H14D0.9300
C4B—C5B1.384 (4)C14B—C15B1.385 (4)
C4B—H4B0.9300C14B—H14B0.9300
C4D—C5D1.419 (4)C14A—C15A1.376 (4)
C4D—H4D0.9300C14A—H14A0.9300
C5—N21.450 (4)C14C—C15C1.382 (4)
C5—H5E0.9600C14C—H14C0.9300
C5—H5F0.9600C15—N51.439 (4)
C5—H5G0.9600C15—H15E0.9600
C5B—O2B1.340 (3)C15—H15F0.9600
C5B—C6B1.420 (4)C15—H15G0.9600
C5C—O2C1.326 (3)C15D—O4D1.358 (3)
C5C—C6C1.431 (4)C15D—C16D1.417 (4)
C5A—O2A1.338 (3)C15A—O4A1.354 (3)
C5A—C6A1.412 (4)C15A—C16A1.433 (4)
C5D—C6D1.403 (4)C15C—O4C1.365 (3)
C5D—C7D1.442 (4)C15C—C16C1.419 (4)
C6—N21.440 (4)C15B—O4B1.352 (3)
C6—H6E0.9600C15B—C16B1.423 (4)
C6—H6F0.9600C16D—O3D1.336 (3)
C6—H6G0.9600C16A—O3A1.329 (3)
C6C—O1C1.334 (3)C16B—O3B1.327 (3)
C6D—O2D1.333 (3)C16C—O3C1.338 (3)
C6B—O1B1.344 (3)C17—N61.458 (5)
C6A—O1A1.348 (3)C17—H17E0.9600
C7—O31.288 (9)C17—H17F0.9600
C7—N31.294 (7)C17—H17G0.9600
C7—H70.9300C18—N61.439 (4)
C7A—N1A1.263 (4)C18—H18E0.9600
C7A—H7A0.9300C18—H18F0.9600
C7C—N1C1.274 (3)C18—H18G0.9600
C7C—H7C0.9300C19—O61.230 (4)
C7B—N1B1.267 (4)C19—N61.343 (4)
C7B—H7B0.9300C19—H190.9300
C7D—N3D1.275 (4)O8W—H81W0.8500
C7D—H7D0.9300O8W—H82W0.8500
C8—N31.453 (7)O7W—H21W0.8500
C8—H8E0.9600O7W—H22W0.8500
C8—H8F0.9600O6W—H61W0.8499
C8—H8G0.9600O6W—H62W0.8500
C8A—N1A1.458 (4)O5W—H51W0.8500
C8A—C9A1.518 (4)O5W—H52W0.8499
O4C—Zn1—O2A108.71 (8)N2A—C9A—H91A109.9
O4C—Zn1—O4D127.05 (7)C8A—C9A—H91A109.9
O2A—Zn1—O4D123.80 (8)N2A—C9A—H92A109.9
O4C—Zn1—O1A101.78 (7)C8A—C9A—H92A109.9
O2A—Zn1—O1A80.34 (7)H91A—C9A—H92A108.3
O4D—Zn1—O1A93.61 (7)N2C—C9C—C8C108.1 (2)
O4C—Zn1—O3D96.81 (7)N2C—C9C—H91C110.1
O2A—Zn1—O3D89.28 (7)C8C—C9C—H91C110.1
O4D—Zn1—O3D78.74 (7)N2C—C9C—H92C110.1
O1A—Zn1—O3D160.82 (7)C8C—C9C—H92C110.1
O4D—Zn2—O2B116.57 (8)H91C—C9C—H92C108.4
O4D—Zn2—O4A121.50 (7)N4D—C9D—C8D107.8 (2)
O2B—Zn2—O4A120.81 (8)N4D—C9D—H91D110.1
O4D—Zn2—O1B103.87 (7)C8D—C9D—H91D110.1
O2B—Zn2—O1B81.01 (7)N4D—C9D—H92D110.1
O4A—Zn2—O1B95.32 (7)C8D—C9D—H92D110.1
O4D—Zn2—O3A93.54 (7)H91D—C9D—H92D108.5
O2B—Zn2—O3A87.95 (7)O4—C10—N4124.4 (3)
O4A—Zn2—O3A78.34 (7)O4—C10—H10117.8
O1B—Zn2—O3A162.20 (7)N4—C10—H10117.8
O4A—Zn3—O2C120.90 (7)N4D—C10D—C11D125.6 (3)
O4A—Zn3—O4B120.99 (7)N4D—C10D—H10D117.2
O2C—Zn3—O4B117.04 (7)C11D—C10D—H10D117.2
O4A—Zn3—O1C104.98 (7)N2C—C10C—C11C126.2 (3)
O2C—Zn3—O1C80.22 (7)N2C—C10C—H10C116.9
O4B—Zn3—O1C94.43 (7)C11C—C10C—H10C116.9
O4A—Zn3—O3B92.71 (7)N2A—C10A—C11A126.0 (3)
O2C—Zn3—O3B87.42 (7)N2A—C10A—H10A117.0
O4B—Zn3—O3B79.38 (7)C11A—C10A—H10A117.0
O1C—Zn3—O3B161.88 (7)N2B—C10B—C11B125.9 (3)
O1D—Zn4—O4B115.92 (7)N2B—C10B—H10B117.1
O1D—Zn4—O4C119.28 (8)C11B—C10B—H10B117.1
O4B—Zn4—O4C124.06 (8)N4—C11—H11E109.5
O1D—Zn4—O2D81.38 (7)N4—C11—H11F109.5
O4B—Zn4—O2D100.78 (7)H11E—C11—H11F109.5
O4C—Zn4—O2D95.61 (7)N4—C11—H11G109.5
O1D—Zn4—O3C89.89 (8)H11E—C11—H11G109.5
O4B—Zn4—O3C92.67 (7)H11F—C11—H11G109.5
O4C—Zn4—O3C79.27 (7)C16A—C11A—C12A119.9 (3)
O2D—Zn4—O3C166.16 (7)C16A—C11A—C10A123.7 (3)
O1A—Zn5—O3A97.27 (7)C12A—C11A—C10A116.3 (3)
O1A—Zn5—O5W101.29 (8)C12B—C11B—C16B119.6 (3)
O3A—Zn5—O5W94.93 (7)C12B—C11B—C10B116.8 (3)
O1A—Zn5—N1A88.62 (8)C16B—C11B—C10B123.5 (3)
O3A—Zn5—N1A165.08 (9)C12D—C11D—C16D119.9 (3)
O5W—Zn5—N1A97.34 (8)C12D—C11D—C10D115.7 (3)
O1A—Zn5—N2A146.57 (9)C16D—C11D—C10D124.4 (3)
O3A—Zn5—N2A88.97 (8)C16C—C11C—C12C119.7 (3)
O5W—Zn5—N2A110.88 (9)C16C—C11C—C10C124.1 (2)
N1A—Zn5—N2A78.76 (9)C12C—C11C—C10C116.1 (3)
O1B—Zn6—O3B98.12 (7)N4—C12—H12E109.5
O1B—Zn6—O6W104.09 (8)N4—C12—H12F109.5
O3B—Zn6—O6W96.03 (7)H12E—C12—H12F109.5
O1B—Zn6—N2B138.82 (8)N4—C12—H12G109.5
O3B—Zn6—N2B88.98 (9)H12E—C12—H12G109.5
O6W—Zn6—N2B115.48 (8)H12F—C12—H12G109.5
O1B—Zn6—N1B88.81 (8)C13B—C12B—C11B121.6 (3)
O3B—Zn6—N1B168.17 (9)C13B—C12B—H12B119.2
O6W—Zn6—N1B91.52 (9)C11B—C12B—H12B119.2
N2B—Zn6—N1B79.55 (10)C13D—C12D—C11D121.4 (3)
O1C—Zn7—O3C97.35 (7)C13D—C12D—H12D119.3
O1C—Zn7—O7W107.21 (8)C11D—C12D—H12D119.3
O3C—Zn7—O7W94.96 (7)C13A—C12A—C11A121.6 (3)
O1C—Zn7—N2C135.42 (9)C13A—C12A—H12A119.2
O3C—Zn7—N2C90.35 (8)C11A—C12A—H12A119.2
O7W—Zn7—N2C115.80 (9)C13C—C12C—C11C121.2 (3)
O1C—Zn7—N1C87.35 (8)C13C—C12C—H12C119.4
O3C—Zn7—N1C168.75 (8)C11C—C12C—H12C119.4
O7W—Zn7—N1C93.39 (9)O5—C13—N5125.2 (3)
N2C—Zn7—N1C79.22 (9)O5—C13—H13117.4
O2D—Zn8—O3D97.69 (7)N5—C13—H13117.4
O2D—Zn8—O8W107.45 (8)C12A—C13A—C14A118.8 (3)
O3D—Zn8—O8W94.48 (7)C12A—C13A—H13A120.6
O2D—Zn8—N3D88.62 (9)C14A—C13A—H13A120.6
O3D—Zn8—N3D168.03 (8)C12C—C13C—C14C119.3 (3)
O8W—Zn8—N3D93.31 (8)C12C—C13C—H13C120.4
O2D—Zn8—N4D142.54 (8)C14C—C13C—H13C120.4
O3D—Zn8—N4D89.95 (8)C12B—C13B—C14B119.1 (3)
O8W—Zn8—N4D108.43 (8)C12B—C13B—H13B120.4
N3D—Zn8—N4D78.95 (9)C14B—C13B—H13B120.4
O1—C1—N1125.4 (4)C12D—C13D—C14D119.0 (3)
O1—C1—H1117.3C12D—C13D—H13D120.5
N1—C1—H1117.3C14D—C13D—H13D120.5
C6C—C1C—C2C119.6 (2)N5—C14—H14E109.5
C6C—C1C—C7C123.1 (2)N5—C14—H14F109.5
C2C—C1C—C7C116.9 (2)H14E—C14—H14F109.5
C2B—C1B—C6B119.7 (3)N5—C14—H14G109.5
C2B—C1B—C7B116.8 (3)H14E—C14—H14G109.5
C6B—C1B—C7B123.5 (3)H14F—C14—H14G109.5
O1D—C1D—C2D122.1 (3)C15D—C14D—C13D121.3 (3)
O1D—C1D—C6D118.2 (2)C15D—C14D—H14D119.3
C2D—C1D—C6D119.7 (3)C13D—C14D—H14D119.3
C6A—C1A—C2A119.2 (3)C15B—C14B—C13B121.6 (3)
C6A—C1A—C7A123.9 (3)C15B—C14B—H14B119.2
C2A—C1A—C7A116.8 (3)C13B—C14B—H14B119.2
N1—C2—H2E109.5C15A—C14A—C13A121.4 (3)
N1—C2—H2F109.5C15A—C14A—H14A119.3
H2E—C2—H2F109.5C13A—C14A—H14A119.3
N1—C2—H2G109.5C15C—C14C—C13C121.0 (3)
H2E—C2—H2G109.5C15C—C14C—H14C119.5
H2F—C2—H2G109.5C13C—C14C—H14C119.5
C3C—C2C—C1C121.5 (3)N5—C15—H15E109.5
C3C—C2C—H2C119.3N5—C15—H15F109.5
C1C—C2C—H2C119.3H15E—C15—H15F109.5
C1D—C2D—C3D121.3 (3)N5—C15—H15G109.5
C1D—C2D—H2D119.4H15E—C15—H15G109.5
C3D—C2D—H2D119.4H15F—C15—H15G109.5
C3B—C2B—C1B120.9 (3)O4D—C15D—C14D122.3 (2)
C3B—C2B—H2B119.6O4D—C15D—C16D117.0 (2)
C1B—C2B—H2B119.6C14D—C15D—C16D120.8 (3)
C3A—C2A—C1A121.1 (3)O4A—C15A—C14A122.4 (2)
C3A—C2A—H2A119.4O4A—C15A—C16A117.1 (2)
C1A—C2A—H2A119.4C14A—C15A—C16A120.4 (3)
N1—C3—H3E109.5O4C—C15C—C14C121.9 (2)
N1—C3—H3F109.5O4C—C15C—C16C117.4 (2)
H3E—C3—H3F109.5C14C—C15C—C16C120.5 (3)
N1—C3—H3G109.5O4B—C15B—C14B122.2 (3)
H3E—C3—H3G109.5O4B—C15B—C16B117.8 (2)
H3F—C3—H3G109.5C14B—C15B—C16B119.9 (3)
C2C—C3C—C4C119.1 (2)O3D—C16D—C11D125.7 (2)
C2C—C3C—H3C120.5O3D—C16D—C15D116.7 (2)
C4C—C3C—H3C120.5C11D—C16D—C15D117.6 (3)
C2B—C3B—C4B119.7 (3)O3A—C16A—C11A125.9 (2)
C2B—C3B—H3B120.2O3A—C16A—C15A116.2 (2)
C4B—C3B—H3B120.2C11A—C16A—C15A117.8 (2)
C4D—C3D—C2D119.4 (3)O3B—C16B—C11B125.4 (3)
C4D—C3D—H3D120.3O3B—C16B—C15B116.6 (2)
C2D—C3D—H3D120.3C11B—C16B—C15B118.0 (2)
C2A—C3A—C4A119.9 (3)O3C—C16C—C11C125.7 (2)
C2A—C3A—H3A120.1O3C—C16C—C15C116.4 (2)
C4A—C3A—H3A120.1C11C—C16C—C15C117.9 (2)
O2—C4—N2125.6 (3)N6—C17—H17E109.5
O2—C4—H4117.2N6—C17—H17F109.5
N2—C4—H4117.2H17E—C17—H17F109.5
C5C—C4C—C3C121.6 (3)N6—C17—H17G109.5
C5C—C4C—H4C119.2H17E—C17—H17G109.5
C3C—C4C—H4C119.2H17F—C17—H17G109.5
C5A—C4A—C3A120.8 (3)N6—C18—H18E109.5
C5A—C4A—H4A119.6N6—C18—H18F109.5
C3A—C4A—H4A119.6H18E—C18—H18F109.5
C5B—C4B—C3B121.7 (3)N6—C18—H18G109.5
C5B—C4B—H4B119.1H18E—C18—H18G109.5
C3B—C4B—H4B119.1H18F—C18—H18G109.5
C3D—C4D—C5D121.8 (3)O6—C19—N6123.3 (3)
C3D—C4D—H4D119.1O6—C19—H19118.4
C5D—C4D—H4D119.1N6—C19—H19118.4
N2—C5—H5E109.5Zn8—O8W—H81W109.6
N2—C5—H5F109.5Zn8—O8W—H82W109.3
H5E—C5—H5F109.5H81W—O8W—H82W109.8
N2—C5—H5G109.5C1D—O1D—Zn4112.90 (17)
H5E—C5—H5G109.5C6B—O1B—Zn6127.45 (15)
H5F—C5—H5G109.5C6B—O1B—Zn2110.90 (15)
O2B—C5B—C4B122.5 (3)Zn6—O1B—Zn2121.33 (9)
O2B—C5B—C6B118.2 (2)C6A—O1A—Zn5128.11 (17)
C4B—C5B—C6B119.3 (3)C6A—O1A—Zn1109.46 (16)
O2C—C5C—C4C122.6 (2)Zn5—O1A—Zn1120.59 (8)
O2C—C5C—C6C117.8 (2)C6C—O1C—Zn7128.69 (16)
C4C—C5C—C6C119.6 (2)C6C—O1C—Zn3111.46 (15)
O2A—C5A—C4A122.2 (3)Zn7—O1C—Zn3119.81 (8)
O2A—C5A—C6A118.1 (2)Zn7—O7W—H21W109.6
C4A—C5A—C6A119.7 (3)Zn7—O7W—H22W109.3
C6D—C5D—C4D119.3 (3)H21W—O7W—H22W109.8
C6D—C5D—C7D124.2 (3)C5A—O2A—Zn1112.43 (18)
C4D—C5D—C7D116.4 (3)C6D—O2D—Zn8128.15 (17)
N2—C6—H6E109.5C6D—O2D—Zn4109.64 (16)
N2—C6—H6F109.5Zn8—O2D—Zn4121.49 (9)
H6E—C6—H6F109.5C5B—O2B—Zn2113.89 (16)
N2—C6—H6G109.5C5C—O2C—Zn3114.44 (16)
H6E—C6—H6G109.5C16D—O3D—Zn8126.48 (16)
H6F—C6—H6G109.5C16D—O3D—Zn1106.15 (15)
O1C—C6C—C1C125.5 (2)Zn8—O3D—Zn1120.73 (8)
O1C—C6C—C5C115.9 (2)Zn6—O6W—H61W109.6
C1C—C6C—C5C118.6 (2)Zn6—O6W—H62W109.3
O2D—C6D—C5D125.3 (3)H61W—O6W—H62W109.8
O2D—C6D—C1D116.2 (2)C16B—O3B—Zn6127.70 (17)
C5D—C6D—C1D118.4 (3)C16B—O3B—Zn3105.16 (16)
O1B—C6B—C1B125.4 (2)Zn6—O3B—Zn3119.12 (9)
O1B—C6B—C5B115.9 (2)C16C—O3C—Zn7125.95 (17)
C1B—C6B—C5B118.7 (3)C16C—O3C—Zn4106.01 (15)
O1A—C6A—C1A125.1 (3)Zn7—O3C—Zn4120.79 (8)
O1A—C6A—C5A115.7 (2)C16A—O3A—Zn5128.08 (16)
C1A—C6A—C5A119.2 (2)C16A—O3A—Zn2104.78 (14)
O3—C7—N3119.7 (9)Zn5—O3A—Zn2120.08 (9)
O3—C7—H7120.1C15D—O4D—Zn2119.59 (15)
N3—C7—H7120.1C15D—O4D—Zn1110.17 (15)
N1A—C7A—C1A126.2 (2)Zn2—O4D—Zn1122.28 (9)
N1A—C7A—H7A116.9Zn5—O5W—H51W109.5
C1A—C7A—H7A116.9Zn5—O5W—H52W109.4
N1C—C7C—C1C124.9 (3)H51W—O5W—H52W109.8
N1C—C7C—H7C117.6C15B—O4B—Zn4122.26 (15)
C1C—C7C—H7C117.6C15B—O4B—Zn3108.25 (15)
N1B—C7B—C1B124.7 (3)Zn4—O4B—Zn3122.88 (9)
N1B—C7B—H7B117.7C15C—O4C—Zn1121.56 (16)
C1B—C7B—H7B117.7C15C—O4C—Zn4109.25 (16)
N3D—C7D—C5D125.2 (3)Zn1—O4C—Zn4121.66 (9)
N3D—C7D—H7D117.4C15A—O4A—Zn3122.26 (17)
C5D—C7D—H7D117.4C15A—O4A—Zn2108.10 (15)
N3—C8—H8E109.5Zn3—O4A—Zn2126.44 (9)
N3—C8—H8F109.5C1—N1—C3123.2 (4)
H8E—C8—H8F109.5C1—N1—C2120.0 (3)
N3—C8—H8G109.5C3—N1—C2116.8 (4)
H8E—C8—H8G109.5C7B—N1B—C8B122.0 (3)
H8F—C8—H8G109.5C7B—N1B—Zn6128.1 (2)
N1A—C8A—C9A107.2 (2)C8B—N1B—Zn6109.83 (19)
N1A—C8A—H81A110.3C7A—N1A—C8A121.5 (2)
C9A—C8A—H81A110.3C7A—N1A—Zn5127.8 (2)
N1A—C8A—H82A110.3C8A—N1A—Zn5110.20 (17)
C9A—C8A—H82A110.3C7C—N1C—C8C121.0 (2)
H81A—C8A—H82A108.5C7C—N1C—Zn7127.8 (2)
N3D—C8D—C9D107.2 (2)C8C—N1C—Zn7110.97 (17)
N3D—C8D—H81D110.3C10B—N2B—C9B118.8 (3)
C9D—C8D—H81D110.3C10B—N2B—Zn6127.7 (2)
N3D—C8D—H82D110.3C9B—N2B—Zn6113.38 (19)
C9D—C8D—H82D110.3C10A—N2A—C9A118.3 (3)
H81D—C8D—H82D108.5C10A—N2A—Zn5127.1 (2)
N1C—C8C—C9C106.4 (2)C9A—N2A—Zn5114.19 (19)
N1C—C8C—H81C110.5C10C—N2C—C9C119.1 (2)
C9C—C8C—H81C110.5C10C—N2C—Zn7126.4 (2)
N1C—C8C—H82C110.5C9C—N2C—Zn7114.42 (17)
C9C—C8C—H82C110.5C4—N2—C6121.5 (2)
H81C—C8C—H82C108.6C4—N2—C5122.8 (2)
N1B—C8B—C9B106.4 (2)C6—N2—C5115.7 (2)
N1B—C8B—H81B110.5C7D—N3D—C8D120.9 (3)
C9B—C8B—H81B110.5C7D—N3D—Zn8128.3 (2)
N1B—C8B—H82B110.5C8D—N3D—Zn8110.20 (19)
C9B—C8B—H82B110.5C7—N3—C9122.5 (6)
H81B—C8B—H82B108.6C7—N3—C8121.3 (7)
N3—C9—H9E109.5C9—N3—C8116.2 (5)
N3—C9—H9F109.5C10—N4—C12121.2 (3)
H9E—C9—H9F109.5C10—N4—C11122.8 (3)
N3—C9—H9G109.5C12—N4—C11115.6 (3)
H9E—C9—H9G109.5C10D—N4D—C9D118.5 (2)
H9F—C9—H9G109.5C10D—N4D—Zn8127.0 (2)
N2B—C9B—C8B108.0 (3)C9D—N4D—Zn8114.52 (18)
N2B—C9B—H91B110.1C13—N5—C15122.3 (3)
C8B—C9B—H91B110.1C13—N5—C14119.9 (3)
N2B—C9B—H92B110.1C15—N5—C14117.4 (3)
C8B—C9B—H92B110.1C19—N6—C18121.2 (3)
H91B—C9B—H92B108.4C19—N6—C17120.0 (3)
N2A—C9A—C8A108.9 (2)C18—N6—C17118.3 (3)
C6C—C1C—C2C—C3C−1.0 (4)O4C—Zn1—O3D—Zn8−53.03 (10)
C7C—C1C—C2C—C3C171.6 (3)O2A—Zn1—O3D—Zn855.73 (11)
O1D—C1D—C2D—C3D178.0 (3)O4D—Zn1—O3D—Zn8−179.54 (11)
C6D—C1D—C2D—C3D−3.3 (4)O1A—Zn1—O3D—Zn8112.61 (19)
C6B—C1B—C2B—C3B0.2 (5)C11B—C16B—O3B—Zn68.0 (3)
C7B—C1B—C2B—C3B−176.7 (3)C15B—C16B—O3B—Zn6−172.14 (15)
C6A—C1A—C2A—C3A0.3 (5)C11B—C16B—O3B—Zn3155.8 (2)
C7A—C1A—C2A—C3A176.8 (3)C15B—C16B—O3B—Zn3−24.3 (2)
C1C—C2C—C3C—C4C−0.8 (4)O1B—Zn6—O3B—C16B−147.45 (19)
C1B—C2B—C3B—C4B1.1 (5)O6W—Zn6—O3B—C16B107.34 (19)
C1D—C2D—C3D—C4D0.8 (5)N2B—Zn6—O3B—C16B−8.17 (19)
C1A—C2A—C3A—C4A1.3 (5)N1B—Zn6—O3B—C16B−22.1 (5)
C2C—C3C—C4C—C5C1.3 (4)O1B—Zn6—O3B—Zn368.57 (10)
C2A—C3A—C4A—C5A−0.2 (5)O6W—Zn6—O3B—Zn3−36.63 (10)
C2B—C3B—C4B—C5B−0.1 (5)N2B—Zn6—O3B—Zn3−152.15 (10)
C2D—C3D—C4D—C5D1.3 (5)N1B—Zn6—O3B—Zn3−166.0 (3)
C3B—C4B—C5B—O2B179.6 (3)O4A—Zn3—O3B—C16B150.77 (14)
C3B—C4B—C5B—C6B−2.1 (5)O2C—Zn3—O3B—C16B−88.40 (15)
C3C—C4C—C5C—O2C179.0 (3)O4B—Zn3—O3B—C16B29.73 (14)
C3C—C4C—C5C—C6C0.1 (4)O1C—Zn3—O3B—C16B−41.6 (3)
C3A—C4A—C5A—O2A178.8 (3)O4A—Zn3—O3B—Zn6−58.05 (9)
C3A—C4A—C5A—C6A−2.5 (5)O2C—Zn3—O3B—Zn662.78 (10)
C3D—C4D—C5D—C6D−0.8 (5)O4B—Zn3—O3B—Zn6−179.09 (10)
C3D—C4D—C5D—C7D−178.2 (3)O1C—Zn3—O3B—Zn6109.6 (2)
C2C—C1C—C6C—O1C−177.5 (2)C11C—C16C—O3C—Zn7−8.6 (4)
C7C—C1C—C6C—O1C10.4 (4)C15C—C16C—O3C—Zn7171.60 (17)
C2C—C1C—C6C—C5C2.3 (4)C11C—C16C—O3C—Zn4−158.6 (2)
C7C—C1C—C6C—C5C−169.9 (3)C15C—C16C—O3C—Zn421.6 (3)
O2C—C5C—C6C—O1C−1.1 (3)O1C—Zn7—O3C—C16C147.7 (2)
C4C—C5C—C6C—O1C177.9 (2)O7W—Zn7—O3C—C16C−104.2 (2)
O2C—C5C—C6C—C1C179.2 (2)N2C—Zn7—O3C—C16C11.7 (2)
C4C—C5C—C6C—C1C−1.8 (4)N1C—Zn7—O3C—C16C33.6 (5)
C4D—C5D—C6D—O2D−179.5 (3)O1C—Zn7—O3C—Zn4−66.33 (10)
C7D—C5D—C6D—O2D−2.4 (4)O7W—Zn7—O3C—Zn441.77 (11)
C4D—C5D—C6D—C1D−1.6 (4)N2C—Zn7—O3C—Zn4157.70 (11)
C7D—C5D—C6D—C1D175.5 (3)O1D—Zn4—O3C—C16C92.03 (16)
O1D—C1D—C6D—O2D0.5 (4)O4B—Zn4—O3C—C16C−152.03 (16)
C2D—C1D—C6D—O2D−178.3 (2)O4C—Zn4—O3C—C16C−27.85 (16)
O1D—C1D—C6D—C5D−177.6 (2)O2D—Zn4—O3C—C16C41.4 (4)
C2D—C1D—C6D—C5D3.6 (4)O1D—Zn4—O3C—Zn7−59.84 (10)
C2B—C1B—C6B—O1B177.4 (3)O4B—Zn4—O3C—Zn756.11 (10)
C7B—C1B—C6B—O1B−5.9 (5)O4C—Zn4—O3C—Zn7−179.71 (11)
C2B—C1B—C6B—C5B−2.4 (4)O2D—Zn4—O3C—Zn7−110.4 (3)
C7B—C1B—C6B—C5B174.3 (3)C11A—C16A—O3A—Zn5−0.4 (4)
O2B—C5B—C6B—O1B1.8 (4)C15A—C16A—O3A—Zn5177.49 (17)
C4B—C5B—C6B—O1B−176.5 (3)C11A—C16A—O3A—Zn2−150.3 (2)
O2B—C5B—C6B—C1B−178.3 (3)C15A—C16A—O3A—Zn227.6 (3)
C4B—C5B—C6B—C1B3.4 (4)O1A—Zn5—O3A—C16A147.6 (2)
C2A—C1A—C6A—O1A175.5 (3)O5W—Zn5—O3A—C16A−110.3 (2)
C7A—C1A—C6A—O1A−0.8 (5)N1A—Zn5—O3A—C16A35.0 (4)
C2A—C1A—C6A—C5A−3.0 (4)N2A—Zn5—O3A—C16A0.6 (2)
C7A—C1A—C6A—C5A−179.3 (3)O1A—Zn5—O3A—Zn2−66.45 (10)
O2A—C5A—C6A—O1A4.2 (4)O5W—Zn5—O3A—Zn235.62 (11)
C4A—C5A—C6A—O1A−174.5 (3)N1A—Zn5—O3A—Zn2−179.1 (3)
O2A—C5A—C6A—C1A−177.2 (3)N2A—Zn5—O3A—Zn2146.49 (11)
C4A—C5A—C6A—C1A4.1 (5)O4D—Zn2—O3A—C16A−154.26 (16)
C6A—C1A—C7A—N1A0.3 (5)O2B—Zn2—O3A—C16A89.24 (16)
C2A—C1A—C7A—N1A−176.1 (3)O4A—Zn2—O3A—C16A−32.82 (16)
C6C—C1C—C7C—N1C−9.6 (4)O1B—Zn2—O3A—C16A37.7 (3)
C2C—C1C—C7C—N1C178.0 (3)O4D—Zn2—O3A—Zn552.88 (10)
C2B—C1B—C7B—N1B−174.0 (3)O2B—Zn2—O3A—Zn5−63.62 (10)
C6B—C1B—C7B—N1B9.1 (5)O4A—Zn2—O3A—Zn5174.32 (11)
C6D—C5D—C7D—N3D5.1 (5)O1B—Zn2—O3A—Zn5−115.1 (2)
C4D—C5D—C7D—N3D−177.6 (3)C14D—C15D—O4D—Zn258.3 (3)
N1B—C8B—C9B—N2B49.8 (3)C16D—C15D—O4D—Zn2−123.3 (2)
N1A—C8A—C9A—N2A−45.1 (3)C14D—C15D—O4D—Zn1−152.1 (2)
N1C—C8C—C9C—N2C−48.4 (3)C16D—C15D—O4D—Zn126.3 (3)
N3D—C8D—C9D—N4D47.0 (3)O2B—Zn2—O4D—C15D−95.07 (19)
N2A—C10A—C11A—C16A5.4 (5)O4A—Zn2—O4D—C15D96.95 (19)
N2A—C10A—C11A—C12A−175.7 (3)O1B—Zn2—O4D—C15D−8.3 (2)
N2B—C10B—C11B—C12B172.5 (2)O3A—Zn2—O4D—C15D175.44 (18)
N2B—C10B—C11B—C16B−7.1 (4)O2B—Zn2—O4D—Zn1119.07 (10)
N4D—C10D—C11D—C12D173.3 (3)O4A—Zn2—O4D—Zn1−48.90 (13)
N4D—C10D—C11D—C16D−7.0 (4)O1B—Zn2—O4D—Zn1−154.17 (9)
N2C—C10C—C11C—C16C7.1 (5)O3A—Zn2—O4D—Zn129.59 (11)
N2C—C10C—C11C—C12C−173.5 (3)O4C—Zn1—O4D—C15D−118.52 (16)
C16B—C11B—C12B—C13B1.5 (4)O2A—Zn1—O4D—C15D52.99 (18)
C10B—C11B—C12B—C13B−178.2 (2)O1A—Zn1—O4D—C15D133.78 (16)
C16D—C11D—C12D—C13D1.1 (4)O3D—Zn1—O4D—C15D−28.46 (16)
C10D—C11D—C12D—C13D−179.2 (2)O4C—Zn1—O4D—Zn230.14 (14)
C16A—C11A—C12A—C13A−1.3 (5)O2A—Zn1—O4D—Zn2−158.34 (9)
C10A—C11A—C12A—C13A179.7 (3)O1A—Zn1—O4D—Zn2−77.55 (10)
C16C—C11C—C12C—C13C−1.0 (4)O3D—Zn1—O4D—Zn2120.21 (11)
C10C—C11C—C12C—C13C179.6 (3)C14B—C15B—O4B—Zn457.7 (3)
C11A—C12A—C13A—C14A0.8 (5)C16B—C15B—O4B—Zn4−125.7 (2)
C11C—C12C—C13C—C14C1.6 (4)C14B—C15B—O4B—Zn3−150.1 (2)
C11B—C12B—C13B—C14B−2.0 (4)C16B—C15B—O4B—Zn326.4 (3)
C11D—C12D—C13D—C14D−2.2 (4)O1D—Zn4—O4B—C15B−95.7 (2)
C12D—C13D—C14D—C15D0.6 (4)O4C—Zn4—O4B—C15B94.2 (2)
C12B—C13B—C14B—C15B−0.2 (4)O2D—Zn4—O4B—C15B−10.2 (2)
C12A—C13A—C14A—C15A0.1 (4)O3C—Zn4—O4B—C15B173.08 (19)
C12C—C13C—C14C—C15C1.4 (4)O1D—Zn4—O4B—Zn3116.14 (11)
C13D—C14D—C15D—O4D−179.6 (2)O4C—Zn4—O4B—Zn3−53.88 (14)
C13D—C14D—C15D—C16D2.1 (4)O2D—Zn4—O4B—Zn3−158.28 (10)
C13A—C14A—C15A—O4A−176.7 (3)O3C—Zn4—O4B—Zn324.97 (11)
C13A—C14A—C15A—C16A−0.5 (4)O4A—Zn3—O4B—C15B−116.44 (16)
C13C—C14C—C15C—O4C178.5 (3)O2C—Zn3—O4B—C15B51.85 (17)
C13C—C14C—C15C—C16C−4.9 (4)O1C—Zn3—O4B—C15B133.13 (15)
C13B—C14B—C15B—O4B179.3 (2)O3B—Zn3—O4B—C15B−29.68 (15)
C13B—C14B—C15B—C16B2.8 (4)O4A—Zn3—O4B—Zn435.51 (14)
C12D—C11D—C16D—O3D−178.5 (2)O2C—Zn3—O4B—Zn4−156.20 (9)
C10D—C11D—C16D—O3D1.8 (4)O1C—Zn3—O4B—Zn4−74.92 (11)
C12D—C11D—C16D—C15D1.5 (4)O3B—Zn3—O4B—Zn4122.27 (11)
C10D—C11D—C16D—C15D−178.2 (2)C14C—C15C—O4C—Zn1−60.1 (3)
O4D—C15D—C16D—O3D−1.5 (3)C16C—C15C—O4C—Zn1123.3 (2)
C14D—C15D—C16D—O3D177.0 (2)C14C—C15C—O4C—Zn4149.8 (2)
O4D—C15D—C16D—C11D178.5 (2)C16C—C15C—O4C—Zn4−26.8 (3)
C14D—C15D—C16D—C11D−3.1 (4)O2A—Zn1—O4C—C15C98.31 (18)
C12A—C11A—C16A—O3A178.7 (3)O4D—Zn1—O4C—C15C−89.13 (19)
C10A—C11A—C16A—O3A−2.4 (5)O1A—Zn1—O4C—C15C14.64 (19)
C12A—C11A—C16A—C15A0.9 (4)O3D—Zn1—O4C—C15C−170.14 (17)
C10A—C11A—C16A—C15A179.8 (3)O2A—Zn1—O4C—Zn4−115.24 (11)
O4A—C15A—C16A—O3A−1.6 (4)O4D—Zn1—O4C—Zn457.32 (14)
C14A—C15A—C16A—O3A−178.0 (2)O1A—Zn1—O4C—Zn4161.09 (10)
O4A—C15A—C16A—C11A176.4 (2)O3D—Zn1—O4C—Zn4−23.68 (11)
C14A—C15A—C16A—C11A0.0 (4)O1D—Zn4—O4C—C15C−54.91 (18)
C12B—C11B—C16B—O3B−179.0 (2)O4B—Zn4—O4C—C15C114.79 (16)
C10B—C11B—C16B—O3B0.7 (4)O2D—Zn4—O4C—C15C−138.16 (16)
C12B—C11B—C16B—C15B1.1 (4)O3C—Zn4—O4C—C15C28.85 (15)
C10B—C11B—C16B—C15B−179.2 (2)O1D—Zn4—O4C—Zn1155.00 (9)
O4B—C15B—C16B—O3B0.2 (3)O4B—Zn4—O4C—Zn1−35.29 (14)
C14B—C15B—C16B—O3B176.9 (2)O2D—Zn4—O4C—Zn171.76 (11)
O4B—C15B—C16B—C11B−179.9 (2)O3C—Zn4—O4C—Zn1−121.23 (11)
C14B—C15B—C16B—C11B−3.2 (4)C14A—C15A—O4A—Zn3−50.7 (3)
C12C—C11C—C16C—O3C177.8 (3)C16A—C15A—O4A—Zn3133.0 (2)
C10C—C11C—C16C—O3C−2.8 (5)C14A—C15A—O4A—Zn2148.4 (2)
C12C—C11C—C16C—C15C−2.4 (4)C16A—C15A—O4A—Zn2−27.9 (3)
C10C—C11C—C16C—C15C176.9 (3)O2C—Zn3—O4A—C15A93.16 (19)
O4C—C15C—C16C—O3C1.8 (4)O4B—Zn3—O4A—C15A−99.00 (18)
C14C—C15C—C16C—O3C−174.9 (2)O1C—Zn3—O4A—C15A5.72 (19)
O4C—C15C—C16C—C11C−178.0 (2)O3B—Zn3—O4A—C15A−178.23 (18)
C14C—C15C—C16C—C11C5.4 (4)O2C—Zn3—O4A—Zn2−109.52 (11)
C2D—C1D—O1D—Zn4−171.7 (2)O4B—Zn3—O4A—Zn258.32 (14)
C6D—C1D—O1D—Zn49.6 (3)O1C—Zn3—O4A—Zn2163.04 (10)
O4B—Zn4—O1D—C1D86.74 (17)O3B—Zn3—O4A—Zn2−20.91 (11)
O4C—Zn4—O1D—C1D−102.74 (17)O4D—Zn2—O4A—C15A119.18 (16)
O2D—Zn4—O1D—C1D−11.11 (16)O2B—Zn2—O4A—C15A−48.30 (18)
O3C—Zn4—O1D—C1D179.66 (16)O1B—Zn2—O4A—C15A−130.99 (16)
C1B—C6B—O1B—Zn6−8.8 (4)O3A—Zn2—O4A—C15A32.18 (15)
C5B—C6B—O1B—Zn6171.01 (18)O4D—Zn2—O4A—Zn3−40.76 (14)
C1B—C6B—O1B—Zn2177.7 (2)O2B—Zn2—O4A—Zn3151.77 (10)
C5B—C6B—O1B—Zn2−2.5 (3)O1B—Zn2—O4A—Zn369.08 (11)
O3B—Zn6—O1B—C6B−175.4 (2)O3A—Zn2—O4A—Zn3−127.76 (12)
O6W—Zn6—O1B—C6B−77.1 (2)O1—C1—N1—C3−179.0 (5)
N2B—Zn6—O1B—C6B86.8 (2)O1—C1—N1—C20.4 (7)
N1B—Zn6—O1B—C6B14.2 (2)C1B—C7B—N1B—C8B−174.5 (3)
O3B—Zn6—O1B—Zn2−2.56 (11)C1B—C7B—N1B—Zn62.3 (5)
O6W—Zn6—O1B—Zn295.79 (11)C9B—C8B—N1B—C7B129.3 (3)
N2B—Zn6—O1B—Zn2−100.36 (15)C9B—C8B—N1B—Zn6−48.0 (3)
N1B—Zn6—O1B—Zn2−172.94 (12)O1B—Zn6—N1B—C7B−11.3 (3)
O4D—Zn2—O1B—C6B−113.39 (17)O3B—Zn6—N1B—C7B−137.4 (4)
O2B—Zn2—O1B—C6B1.91 (17)O6W—Zn6—N1B—C7B92.8 (3)
O4A—Zn2—O1B—C6B122.32 (17)N2B—Zn6—N1B—C7B−151.6 (3)
O3A—Zn2—O1B—C6B54.3 (3)O1B—Zn6—N1B—C8B165.8 (2)
O4D—Zn2—O1B—Zn672.67 (11)O3B—Zn6—N1B—C8B39.7 (5)
O2B—Zn2—O1B—Zn6−172.03 (12)O6W—Zn6—N1B—C8B−90.1 (2)
O4A—Zn2—O1B—Zn6−51.63 (11)N2B—Zn6—N1B—C8B25.5 (2)
O3A—Zn2—O1B—Zn6−119.7 (2)C1A—C7A—N1A—C8A174.9 (3)
C1A—C6A—O1A—Zn5−3.7 (4)C1A—C7A—N1A—Zn54.4 (5)
C5A—C6A—O1A—Zn5174.85 (19)C9A—C8A—N1A—C7A−123.6 (3)
C1A—C6A—O1A—Zn1−168.1 (2)C9A—C8A—N1A—Zn548.3 (3)
C5A—C6A—O1A—Zn110.5 (3)O1A—Zn5—N1A—C7A−6.2 (3)
O3A—Zn5—O1A—C6A−160.5 (2)O3A—Zn5—N1A—C7A107.5 (4)
O5W—Zn5—O1A—C6A103.0 (2)O5W—Zn5—N1A—C7A−107.4 (3)
N1A—Zn5—O1A—C6A5.7 (2)N2A—Zn5—N1A—C7A142.7 (3)
N2A—Zn5—O1A—C6A−61.3 (3)O1A—Zn5—N1A—C8A−177.5 (2)
O3A—Zn5—O1A—Zn12.34 (11)O3A—Zn5—N1A—C8A−63.9 (4)
O5W—Zn5—O1A—Zn1−94.20 (10)O5W—Zn5—N1A—C8A81.2 (2)
N1A—Zn5—O1A—Zn1168.59 (11)N2A—Zn5—N1A—C8A−28.7 (2)
N2A—Zn5—O1A—Zn1101.57 (15)C1C—C7C—N1C—C8C168.0 (3)
O4C—Zn1—O1A—C6A91.96 (17)C1C—C7C—N1C—Zn7−6.0 (4)
O2A—Zn1—O1A—C6A−15.31 (17)C9C—C8C—N1C—C7C−130.4 (3)
O4D—Zn1—O1A—C6A−139.00 (17)C9C—C8C—N1C—Zn744.5 (3)
O3D—Zn1—O1A—C6A−73.5 (3)O1C—Zn7—N1C—C7C14.7 (3)
O4C—Zn1—O1A—Zn5−73.78 (11)O3C—Zn7—N1C—C7C129.7 (4)
O2A—Zn1—O1A—Zn5178.94 (12)O7W—Zn7—N1C—C7C−92.4 (3)
O4D—Zn1—O1A—Zn555.25 (11)N2C—Zn7—N1C—C7C151.9 (3)
O3D—Zn1—O1A—Zn5120.78 (18)O1C—Zn7—N1C—C8C−159.8 (2)
C1C—C6C—O1C—Zn75.3 (4)O3C—Zn7—N1C—C8C−44.8 (5)
C5C—C6C—O1C—Zn7−174.42 (17)O7W—Zn7—N1C—C8C93.1 (2)
C1C—C6C—O1C—Zn3−177.1 (2)N2C—Zn7—N1C—C8C−22.5 (2)
C5C—C6C—O1C—Zn33.2 (3)C11B—C10B—N2B—C9B−179.4 (2)
O3C—Zn7—O1C—C6C176.1 (2)C11B—C10B—N2B—Zn64.1 (4)
O7W—Zn7—O1C—C6C78.6 (2)C8B—C9B—N2B—C10B153.7 (2)
N2C—Zn7—O1C—C6C−85.9 (2)C8B—C9B—N2B—Zn6−29.4 (3)
N1C—Zn7—O1C—C6C−14.2 (2)O1B—Zn6—N2B—C10B103.6 (2)
O3C—Zn7—O1C—Zn3−1.32 (11)O3B—Zn6—N2B—C10B2.4 (2)
O7W—Zn7—O1C—Zn3−98.86 (10)O6W—Zn6—N2B—C10B−93.8 (2)
N2C—Zn7—O1C—Zn396.71 (13)N1B—Zn6—N2B—C10B179.5 (2)
N1C—Zn7—O1C—Zn3168.42 (11)O1B—Zn6—N2B—C9B−73.1 (2)
O4A—Zn3—O1C—C6C116.39 (16)O3B—Zn6—N2B—C9B−174.25 (18)
O2C—Zn3—O1C—C6C−3.18 (16)O6W—Zn6—N2B—C9B89.56 (19)
O4B—Zn3—O1C—C6C−119.88 (16)N1B—Zn6—N2B—C9B2.88 (18)
O3B—Zn3—O1C—C6C−50.8 (3)C11A—C10A—N2A—C9A−177.2 (3)
O4A—Zn3—O1C—Zn7−65.78 (11)C11A—C10A—N2A—Zn5−5.2 (5)
O2C—Zn3—O1C—Zn7174.65 (11)C8A—C9A—N2A—C10A−165.0 (3)
O4B—Zn3—O1C—Zn757.95 (10)C8A—C9A—N2A—Zn522.0 (3)
O3B—Zn3—O1C—Zn7126.99 (19)O1A—Zn5—N2A—C10A−99.6 (3)
C4A—C5A—O2A—Zn1160.9 (3)O3A—Zn5—N2A—C10A2.1 (3)
C6A—C5A—O2A—Zn1−17.8 (3)O5W—Zn5—N2A—C10A97.0 (3)
O4C—Zn1—O2A—C5A−81.6 (2)N1A—Zn5—N2A—C10A−169.3 (3)
O4D—Zn1—O2A—C5A105.5 (2)O1A—Zn5—N2A—C9A72.7 (3)
O1A—Zn1—O2A—C5A17.65 (19)O3A—Zn5—N2A—C9A174.4 (2)
O3D—Zn1—O2A—C5A−178.6 (2)O5W—Zn5—N2A—C9A−90.7 (2)
C5D—C6D—O2D—Zn8−1.8 (4)N1A—Zn5—N2A—C9A2.9 (2)
C1D—C6D—O2D—Zn8−179.73 (17)C11C—C10C—N2C—C9C−177.4 (3)
C5D—C6D—O2D—Zn4168.5 (2)C11C—C10C—N2C—Zn70.8 (4)
C1D—C6D—O2D—Zn4−9.4 (3)C8C—C9C—N2C—C10C−150.6 (3)
O3D—Zn8—O2D—C6D172.39 (19)C8C—C9C—N2C—Zn731.0 (3)
O8W—Zn8—O2D—C6D−90.4 (2)O1C—Zn7—N2C—C10C−109.0 (2)
N3D—Zn8—O2D—C6D2.6 (2)O3C—Zn7—N2C—C10C−8.1 (2)
N4D—Zn8—O2D—C6D72.3 (2)O7W—Zn7—N2C—C10C87.5 (2)
O3D—Zn8—O2D—Zn43.13 (11)N1C—Zn7—N2C—C10C176.1 (3)
O8W—Zn8—O2D—Zn4100.31 (10)O1C—Zn7—N2C—C9C69.3 (2)
N3D—Zn8—O2D—Zn4−166.66 (11)O3C—Zn7—N2C—C9C170.2 (2)
N4D—Zn8—O2D—Zn4−96.94 (15)O7W—Zn7—N2C—C9C−94.2 (2)
O1D—Zn4—O2D—C6D11.23 (16)N1C—Zn7—N2C—C9C−5.6 (2)
O4B—Zn4—O2D—C6D−103.68 (16)O2—C4—N2—C60.0 (5)
O4C—Zn4—O2D—C6D130.05 (16)O2—C4—N2—C5−180.0 (3)
O3C—Zn4—O2D—C6D62.6 (3)C5D—C7D—N3D—C8D−173.7 (3)
O1D—Zn4—O2D—Zn8−177.71 (11)C5D—C7D—N3D—Zn8−3.4 (4)
O4B—Zn4—O2D—Zn867.37 (11)C9D—C8D—N3D—C7D124.0 (3)
O4C—Zn4—O2D—Zn8−58.89 (11)C9D—C8D—N3D—Zn8−47.9 (3)
O3C—Zn4—O2D—Zn8−126.3 (3)O2D—Zn8—N3D—C7D−0.1 (3)
C4B—C5B—O2B—Zn2178.2 (2)O3D—Zn8—N3D—C7D−122.2 (4)
C6B—C5B—O2B—Zn20.0 (3)O8W—Zn8—N3D—C7D107.3 (3)
O4D—Zn2—O2B—C5B100.08 (19)N4D—Zn8—N3D—C7D−144.5 (3)
O4A—Zn2—O2B—C5B−91.9 (2)O2D—Zn8—N3D—C8D171.07 (18)
O1B—Zn2—O2B—C5B−1.00 (19)O3D—Zn8—N3D—C8D49.0 (5)
O3A—Zn2—O2B—C5B−166.98 (19)O8W—Zn8—N3D—C8D−81.54 (18)
C4C—C5C—O2C—Zn3179.2 (2)N4D—Zn8—N3D—C8D26.61 (17)
C6C—C5C—O2C—Zn3−1.8 (3)O3—C7—N3—C9−179.8 (6)
O4A—Zn3—O2C—C5C−99.03 (18)O3—C7—N3—C80.4 (10)
O4B—Zn3—O2C—C5C92.67 (18)O4—C10—N4—C12−5.1 (6)
O1C—Zn3—O2C—C5C2.66 (17)O4—C10—N4—C11−177.7 (3)
O3B—Zn3—O2C—C5C169.36 (17)C11D—C10D—N4D—C9D−178.4 (2)
C11D—C16D—O3D—Zn87.4 (3)C11D—C10D—N4D—Zn82.3 (4)
C15D—C16D—O3D—Zn8−172.64 (16)C8D—C9D—N4D—C10D154.8 (2)
C11D—C16D—O3D—Zn1158.5 (2)C8D—C9D—N4D—Zn8−25.7 (3)
C15D—C16D—O3D—Zn1−21.5 (2)O2D—Zn8—N4D—C10D106.8 (2)
O2D—Zn8—O3D—C16D−151.98 (18)O3D—Zn8—N4D—C10D4.2 (2)
O8W—Zn8—O3D—C16D99.72 (18)O8W—Zn8—N4D—C10D−90.5 (2)
N3D—Zn8—O3D—C16D−30.7 (5)N3D—Zn8—N4D—C10D179.7 (2)
N4D—Zn8—O3D—C16D−8.77 (18)O2D—Zn8—N4D—C9D−72.6 (2)
O2D—Zn8—O3D—Zn160.66 (10)O3D—Zn8—N4D—C9D−175.21 (18)
O8W—Zn8—O3D—Zn1−47.64 (10)O8W—Zn8—N4D—C9D90.09 (18)
N3D—Zn8—O3D—Zn1−178.1 (3)N3D—Zn8—N4D—C9D0.26 (18)
N4D—Zn8—O3D—Zn1−156.13 (10)O5—C13—N5—C15175.7 (3)
O4C—Zn1—O3D—C16D153.81 (15)O5—C13—N5—C143.4 (5)
O2A—Zn1—O3D—C16D−97.43 (15)O6—C19—N6—C186.6 (6)
O4D—Zn1—O3D—C16D27.30 (14)O6—C19—N6—C17178.7 (3)
O1A—Zn1—O3D—C16D−40.5 (3)
D—H···AD—HH···AD···AD—H···A
O8W—H81W···O40.851.892.720 (3)163
O8W—H82W···O2A0.851.702.545 (3)172
O7W—H21W···O50.851.842.677 (3)167
O7W—H22W···O1D0.851.762.604 (3)173
O6W—H61W···O20.851.882.723 (3)174
O6W—H62W···O2C0.851.732.569 (3)170
O5W—H51W···O60.851.892.731 (3)171
O5W—H52W···O2B0.851.772.612 (2)171
C13A—H13A···O4i0.932.523.339 (4)148
C10D—H10D···O10.932.473.294 (4)147
C13—H13···O4B0.932.593.514 (4)175
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A D—HH⋯A DA D—H⋯A
O8W—H81W⋯O40.851.892.720 (3)163
O8W—H82W⋯O2A 0.851.702.545 (3)172
O7W—H21W⋯O50.851.842.677 (3)167
O7W—H22W⋯O1D 0.851.762.604 (3)173
O6W—H61W⋯O20.851.882.723 (3)174
O6W—H62W⋯O2C 0.851.732.569 (3)170
O5W—H51W⋯O60.851.892.731 (3)171
O5W—H52W⋯O2B 0.851.772.612 (2)171
C13A—H13A⋯O4i 0.932.523.339 (4)148
C10D—H10D⋯O10.932.473.294 (4)147
C13—H13⋯O4B 0.932.593.514 (4)175

Symmetry code: (i) .

  5 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  A new homogeneous zinc complex with increased reactivity for the intramolecular hydroamination of alkenes.

Authors:  Maximilian Dochnahl; Jens-Wolfgang Pissarek; Siegfried Blechert; Karolin Löhnwitz; Peter W Roesky
Journal:  Chem Commun (Camb)       Date:  2006-07-24       Impact factor: 6.222

3.  Ratiometric Zn2+ sensor and strategy for Hg2+ selective recognition by central metal ion replacement.

Authors:  Zhikun Wu; Yongfang Zhang; Jin Shi Ma; Guoqiang Yang
Journal:  Inorg Chem       Date:  2006-04-17       Impact factor: 5.165

4.  Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks via hydrogen bonding.

Authors:  Xiao-Hua Chen; Qiong-Jie Wu; Zhi-Yu Liang; Chun-Rong Zhan; Jian-Bin Liu
Journal:  Acta Crystallogr C       Date:  2009-04-10       Impact factor: 1.172

5.  An octa-nuclear zinc(II) complex with 6,6'-dihydr-oxy-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenol.

Authors:  Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Rohana Adnan
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-06-13
  5 in total

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