Literature DB >> 22064841

Poly[[bis-(dimethyl-formamide)[μ(7)-5,5'-(methyl-enedi-oxy)diisophthalato]dizinc] dimethyl-formamide monosolvate].

Chuan-Qiang Li1, Wen-Ge Qiu, Hong He.   

Abstract

In the crystal structure of the title coordination polymer, {[Zn(2)(C(17)H(8)O(10))(C(3)H(7)NO)(2)]·C(3)H(7)NO}(n), the mol-ecular build-ing block (MBB), viz. {Zn(2)(CO(2))(4)(C(3)H(7)NO)(2)}, comprises two zinc atoms, each bridged by three carboxyl-ate groups. These two Zn atoms exhibit different coordination environments: a distorted coordination intermediate between trigonal-pyramidal, and square-pyramidal formed by the two coordinated dimethyl-formamide mol-ecules and three carboxylate groups, and a distorted tetra-hedral coordination defined by carboxy-late groups of which three are bidentate bridging and the fourth is a monodentate ligand. Thus, each ligand connects four MBBs, forming the three-dimensional polymer.

Entities:  

Year:  2011        PMID: 22064841      PMCID: PMC3201252          DOI: 10.1107/S1600536811037056

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


Related literature

For the use of flexible multicarboxyl­ate ligands as building blocks in the assembly of coordination frameworks, see: Kim et al. (2004 ▶); Zhu et al. (2005 ▶); Hawxwell et al. (2007 ▶). For the synthesis, see: Karmakar & Goldberg (2010 ▶).

Experimental

Crystal data

[Zn2(C17H8O10)(C3H7NO)2]·C3H7NO M = 722.26 Orthorhombic, a = 11.2562 (6) Å b = 13.1744 (7) Å c = 20.3965 (12) Å V = 3024.7 (3) Å3 Z = 4 Mo Kα radiation μ = 1.66 mm−1 T = 173 K 0.15 × 0.14 × 0.13 mm

Data collection

Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker 2008 ▶) T min = 0.789, T max = 0.814 15188 measured reflections 5261 independent reflections 5131 reflections with I > 2σ(I) R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.026 wR(F 2) = 0.064 S = 1.07 5261 reflections 403 parameters 7 restraints H-atom parameters constrained Δρmax = 1.02 e Å−3 Δρmin = −0.51 e Å−3 Absolute structure: Flack (1983 ▶), 2298 Friedel pairs Flack parameter: 0.010 (9) Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008) ▶; program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) ▶; molecular graphics: SHELXTL (Sheldrick, 2008) ▶; software used to prepare material for publication: SHELXTL ▶. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811037056/kp2331sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811037056/kp2331Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Zn2(C17H8O10)(C3H7NO)2]·C3H7NOF(000) = 1480
Mr = 722.26Dx = 1.586 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 9981 reflections
a = 11.2562 (6) Åθ = 2.4–28.2°
b = 13.1744 (7) ŵ = 1.66 mm1
c = 20.3965 (12) ÅT = 173 K
V = 3024.7 (3) Å3Block, colourless
Z = 40.15 × 0.14 × 0.13 mm
Bruker APEXII CCD diffractometer5261 independent reflections
Radiation source: fine-focus sealed tube5131 reflections with I > 2σ(I)
graphiteRint = 0.022
φ and ω scansθmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Bruker 2008)h = −12→13
Tmin = 0.789, Tmax = 0.814k = −15→12
15188 measured reflectionsl = −16→24
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.026H-atom parameters constrained
wR(F2) = 0.064w = 1/[σ2(Fo2) + (0.0225P)2 + 2.9204P] where P = (Fo2 + 2Fc2)/3
S = 1.07(Δ/σ)max = 0.001
5261 reflectionsΔρmax = 1.02 e Å3
403 parametersΔρmin = −0.51 e Å3
7 restraintsAbsolute structure: Flack (1983), 2298 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.010 (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
Zn10.32282 (3)1.02153 (3)0.532246 (16)0.01304 (8)
Zn20.11040 (3)0.92795 (2)0.640664 (15)0.01034 (8)
O10.25310 (18)0.84177 (15)0.65422 (10)0.0142 (4)
O20.3248 (2)0.86905 (15)0.55265 (10)0.0186 (5)
O30.55588 (18)0.60034 (16)0.44912 (10)0.0173 (5)
O40.6626 (2)0.49210 (16)0.51036 (10)0.0226 (5)
O50.48922 (18)0.55461 (15)0.74102 (10)0.0141 (4)
O60.51506 (17)0.38160 (16)0.71297 (10)0.0142 (4)
O70.13001 (19)0.47767 (17)0.83474 (11)0.0232 (5)
O80.00425 (18)0.35644 (16)0.80428 (10)0.0157 (4)
O90.14499 (16)0.06646 (15)0.67100 (10)0.0151 (4)
O100.32214 (19)0.08120 (16)0.62123 (9)0.0166 (4)
O110.5015 (2)1.0047 (2)0.52425 (14)0.0353 (6)
O120.3428 (2)1.15866 (19)0.48368 (12)0.0306 (6)
O130.3138 (3)1.0302 (2)0.33443 (15)0.0499 (7)
N10.6865 (3)1.0308 (3)0.48390 (18)0.0495 (8)
N20.3226 (3)1.2560 (2)0.39360 (14)0.0247 (6)
N30.4694 (3)0.9184 (2)0.35115 (14)0.0322 (7)
C10.4858 (3)0.5963 (2)0.67844 (14)0.0138 (6)
C20.4123 (3)0.6810 (2)0.67289 (14)0.0137 (6)
H20.37070.70570.71010.016*
C30.4002 (3)0.7295 (2)0.61255 (14)0.0137 (6)
C40.4597 (3)0.6924 (2)0.55776 (15)0.0146 (6)
H40.45170.72560.51670.018*
C50.5308 (3)0.6065 (2)0.56331 (15)0.0141 (6)
C60.5468 (3)0.5589 (2)0.62467 (14)0.0126 (6)
H60.59860.50230.62900.015*
C70.3202 (3)0.8206 (2)0.60605 (14)0.0130 (6)
C80.5879 (2)0.5635 (2)0.50290 (14)0.0149 (6)
C90.5557 (3)0.4640 (2)0.75127 (14)0.0148 (6)
H9A0.64010.47720.74070.018*
H9B0.55110.44520.79820.018*
C100.4025 (3)0.3430 (2)0.72419 (13)0.0129 (6)
C110.3158 (3)0.3889 (2)0.76253 (14)0.0139 (6)
H110.33240.45040.78510.017*
C120.2037 (3)0.3435 (2)0.76758 (14)0.0136 (6)
C130.1795 (3)0.2524 (2)0.73604 (13)0.0134 (6)
H130.10390.22120.74090.016*
C140.2666 (3)0.2068 (2)0.69721 (14)0.0127 (6)
C150.3786 (3)0.2523 (2)0.69091 (14)0.0126 (6)
H150.43790.22180.66420.015*
C160.1075 (3)0.3978 (2)0.80611 (13)0.0144 (6)
C170.2425 (2)0.1110 (2)0.66028 (13)0.0111 (6)
C180.5723 (3)1.0484 (3)0.4863 (2)0.0432 (11)
H180.54091.09780.45710.052*
C190.7341 (6)0.9558 (5)0.5254 (3)0.0816 (16)
H19A0.66970.92360.55020.122*
H19B0.79060.98710.55580.122*
H19C0.77500.90450.49900.122*
C200.7647 (4)1.0820 (5)0.4373 (3)0.0732 (17)
H20A0.71761.12710.40930.110*
H20B0.80491.03130.41000.110*
H20C0.82401.12190.46120.110*
C210.2853 (3)1.1867 (3)0.43474 (17)0.0240 (7)
H210.21031.15600.42680.029*
C220.2583 (4)1.2772 (3)0.3324 (2)0.0437 (11)
H22A0.30311.24960.29520.066*
H22B0.24921.35070.32700.066*
H22C0.17961.24530.33410.066*
C230.4417 (3)1.2999 (3)0.3995 (2)0.0364 (10)
H23A0.46781.29630.44530.055*
H23B0.43991.37100.38530.055*
H23C0.49721.26170.37180.055*
C240.4167 (3)1.0000 (3)0.32387 (19)0.0347 (9)
H240.46281.03810.29360.042*
C250.4002 (5)0.8543 (3)0.3960 (2)0.0493 (11)
H25A0.31570.87080.39180.074*
H25B0.42600.86660.44120.074*
H25C0.41280.78270.38490.074*
C260.5865 (4)0.8865 (4)0.3345 (2)0.0451 (10)
H26A0.62010.93310.30190.068*
H26B0.58370.81780.31630.068*
H26C0.63640.88680.37390.068*
U11U22U33U12U13U23
Zn10.01357 (16)0.01255 (16)0.01301 (16)−0.00049 (14)0.00072 (13)−0.00015 (14)
Zn20.01203 (15)0.00882 (15)0.01017 (15)−0.00059 (13)0.00052 (13)−0.00001 (13)
O10.0166 (10)0.0147 (10)0.0114 (10)0.0036 (8)0.0003 (8)−0.0023 (8)
O20.0252 (11)0.0154 (11)0.0153 (11)0.0040 (10)0.0024 (9)0.0010 (8)
O30.0182 (10)0.0207 (12)0.0129 (10)0.0038 (9)0.0020 (9)0.0006 (9)
O40.0282 (12)0.0181 (12)0.0215 (11)0.0101 (10)0.0129 (9)0.0061 (9)
O50.0210 (10)0.0110 (11)0.0102 (10)0.0011 (8)0.0001 (8)0.0012 (8)
O60.0106 (10)0.0111 (10)0.0209 (11)−0.0012 (8)0.0009 (8)−0.0023 (9)
O70.0230 (11)0.0171 (11)0.0296 (12)0.0006 (10)0.0042 (9)−0.0094 (11)
O80.0152 (10)0.0145 (11)0.0175 (11)0.0009 (9)0.0041 (8)−0.0011 (9)
O90.0145 (10)0.0104 (10)0.0203 (10)−0.0009 (8)0.0005 (8)−0.0030 (9)
O100.0182 (10)0.0173 (10)0.0143 (10)0.0026 (10)0.0014 (9)−0.0050 (8)
O110.0201 (12)0.0384 (16)0.0474 (16)0.0026 (11)0.0074 (11)0.0003 (13)
O120.0300 (13)0.0318 (13)0.0301 (13)−0.0156 (11)−0.0114 (11)0.0180 (11)
O130.0426 (16)0.0524 (18)0.0548 (18)0.0067 (16)0.0051 (15)0.0042 (15)
N10.0242 (16)0.074 (2)0.050 (2)−0.0051 (17)0.0078 (15)−0.0203 (16)
N20.0297 (15)0.0177 (14)0.0266 (15)−0.0068 (13)−0.0030 (13)0.0092 (12)
N30.0499 (19)0.0250 (16)0.0216 (15)−0.0043 (14)0.0147 (14)0.0027 (13)
C10.0152 (14)0.0117 (15)0.0145 (15)−0.0040 (11)−0.0043 (12)0.0008 (11)
C20.0153 (15)0.0124 (14)0.0134 (14)−0.0011 (12)0.0024 (12)−0.0015 (11)
C30.0150 (14)0.0107 (14)0.0154 (14)−0.0014 (12)0.0012 (12)−0.0002 (11)
C40.0156 (14)0.0165 (15)0.0117 (13)0.0011 (12)0.0003 (12)0.0025 (12)
C50.0114 (14)0.0139 (15)0.0172 (15)−0.0003 (11)0.0016 (12)−0.0001 (12)
C60.0130 (13)0.0091 (14)0.0157 (15)0.0006 (11)0.0001 (11)−0.0019 (11)
C70.0135 (14)0.0115 (14)0.0140 (14)0.0004 (12)−0.0003 (13)−0.0005 (11)
C80.0136 (14)0.0130 (14)0.0181 (15)−0.0019 (13)0.0064 (12)0.0006 (12)
C90.0198 (14)0.0093 (15)0.0154 (14)0.0003 (12)−0.0062 (12)0.0026 (12)
C100.0135 (14)0.0110 (14)0.0142 (14)0.0002 (12)−0.0021 (12)0.0032 (11)
C110.0170 (15)0.0103 (13)0.0145 (14)−0.0026 (12)0.0000 (12)−0.0004 (11)
C120.0170 (15)0.0126 (14)0.0111 (14)0.0029 (12)0.0012 (11)0.0008 (11)
C130.0126 (14)0.0144 (14)0.0131 (14)0.0002 (12)−0.0009 (12)0.0011 (11)
C140.0167 (14)0.0115 (14)0.0100 (14)0.0031 (12)−0.0020 (12)0.0022 (12)
C150.0140 (14)0.0124 (14)0.0113 (13)0.0038 (12)−0.0003 (12)−0.0014 (11)
C160.0179 (14)0.0137 (14)0.0116 (13)0.0016 (12)−0.0007 (13)0.0003 (11)
C170.0145 (15)0.0087 (14)0.0101 (13)0.0022 (11)−0.0023 (11)0.0030 (11)
C180.0231 (19)0.036 (2)0.071 (3)−0.0021 (16)0.0152 (19)−0.006 (2)
C190.0789 (18)0.0864 (18)0.0795 (18)0.0028 (10)0.0012 (10)0.0001 (10)
C200.037 (2)0.086 (4)0.097 (4)−0.020 (3)0.032 (3)−0.026 (4)
C210.0234 (17)0.0222 (17)0.0265 (18)−0.0087 (14)−0.0017 (14)0.0063 (15)
C220.054 (3)0.037 (2)0.040 (2)−0.015 (2)−0.021 (2)0.0180 (19)
C230.030 (2)0.030 (2)0.050 (2)−0.0078 (16)−0.0021 (18)0.0211 (18)
C240.037 (2)0.035 (2)0.032 (2)0.0023 (16)0.0013 (16)0.0007 (16)
C250.071 (3)0.043 (2)0.034 (2)0.003 (2)0.017 (2)0.0046 (19)
C260.032 (2)0.042 (2)0.061 (3)−0.0001 (18)0.003 (2)−0.010 (2)
Zn1—O10i1.9779 (19)C3—C41.391 (4)
Zn1—O4ii2.010 (2)C3—C71.506 (4)
Zn1—O112.030 (2)C4—C51.390 (4)
Zn1—O22.052 (2)C4—H40.9500
Zn1—O122.073 (2)C5—C61.411 (4)
Zn2—O8iii1.953 (2)C5—C81.501 (4)
Zn2—O9i1.966 (2)C6—H60.9500
Zn2—O3ii1.967 (2)C9—H9A0.9900
Zn2—O11.986 (2)C9—H9B0.9900
O1—C71.270 (3)C10—C111.389 (4)
O2—C71.263 (3)C10—C151.400 (4)
O3—C81.253 (4)C11—C121.400 (4)
O3—Zn2iv1.967 (2)C11—H110.9500
O4—C81.270 (4)C12—C131.389 (4)
O4—Zn1iv2.010 (2)C12—C161.517 (4)
O5—C11.390 (3)C13—C141.396 (4)
O5—C91.424 (4)C13—H130.9500
O6—C101.384 (3)C14—C151.402 (4)
O6—C91.414 (4)C14—C171.496 (4)
O7—C161.230 (4)C15—H150.9500
O8—C161.284 (4)C18—H180.9500
O8—Zn2v1.953 (2)C19—H19A0.9800
O9—C171.263 (3)C19—H19B0.9800
O9—Zn2vi1.966 (2)C19—H19C0.9800
O10—C171.262 (3)C20—H20A0.9800
O10—Zn1vi1.9779 (19)C20—H20B0.9800
O11—C181.252 (5)C20—H20C0.9800
O12—C211.245 (4)C21—H210.9500
O13—C241.244 (5)C22—H22A0.9800
N1—C181.307 (5)C22—H22B0.9800
N1—C191.407 (7)C22—H22C0.9800
N1—C201.460 (6)C23—H23A0.9800
N2—C211.310 (4)C23—H23B0.9800
N2—C231.466 (5)C23—H23C0.9800
N2—C221.470 (5)C24—H240.9500
N3—C241.348 (5)C25—H25A0.9800
N3—C261.424 (5)C25—H25B0.9800
N3—C251.468 (5)C25—H25C0.9800
C1—C61.385 (4)C26—H26A0.9800
C1—C21.394 (4)C26—H26B0.9800
C2—C31.393 (4)C26—H26C0.9800
C2—H20.9500
O10i—Zn1—O4ii115.39 (9)C11—C10—C15120.6 (3)
O10i—Zn1—O1196.95 (10)C10—C11—C12119.3 (3)
O4ii—Zn1—O11147.61 (11)C10—C11—H11120.4
O10i—Zn1—O2101.72 (8)C12—C11—H11120.4
O4ii—Zn1—O290.56 (9)C13—C12—C11120.8 (3)
O11—Zn1—O284.18 (10)C13—C12—C16120.5 (3)
O10i—Zn1—O1295.31 (10)C11—C12—C16118.7 (3)
O4ii—Zn1—O1288.20 (9)C12—C13—C14119.8 (3)
O11—Zn1—O1287.10 (10)C12—C13—H13120.1
O2—Zn1—O12161.68 (9)C14—C13—H13120.1
O8iii—Zn2—O9i113.43 (9)C13—C14—C15120.0 (3)
O8iii—Zn2—O3ii103.75 (9)C13—C14—C17121.4 (3)
O9i—Zn2—O3ii122.06 (9)C15—C14—C17118.5 (3)
O8iii—Zn2—O1100.29 (8)C10—C15—C14119.5 (3)
O9i—Zn2—O1109.06 (8)C10—C15—H15120.2
O3ii—Zn2—O1105.88 (9)C14—C15—H15120.2
C7—O1—Zn2119.91 (18)O7—C16—O8124.3 (3)
C7—O2—Zn1131.99 (19)O7—C16—C12120.2 (3)
C8—O3—Zn2iv130.68 (19)O8—C16—C12115.5 (2)
C8—O4—Zn1iv127.46 (18)O10—C17—O9125.6 (3)
C1—O5—C9118.7 (2)O10—C17—C14116.8 (3)
C10—O6—C9119.1 (2)O9—C17—C14117.5 (3)
C16—O8—Zn2v112.12 (18)O11—C18—N1124.6 (4)
C17—O9—Zn2vi123.25 (18)O11—C18—H18117.7
C17—O10—Zn1vi134.87 (19)N1—C18—H18117.7
C18—O11—Zn1129.1 (3)N1—C19—H19A109.5
C21—O12—Zn1125.8 (2)N1—C19—H19B109.5
C18—N1—C19118.5 (5)H19A—C19—H19B109.5
C18—N1—C20122.3 (5)N1—C19—H19C109.5
C19—N1—C20119.1 (4)H19A—C19—H19C109.5
C21—N2—C23121.0 (3)H19B—C19—H19C109.5
C21—N2—C22121.3 (3)N1—C20—H20A109.5
C23—N2—C22116.5 (3)N1—C20—H20B109.5
C24—N3—C26122.9 (3)H20A—C20—H20B109.5
C24—N3—C25118.8 (3)N1—C20—H20C109.5
C26—N3—C25118.0 (4)H20A—C20—H20C109.5
C6—C1—O5125.0 (3)H20B—C20—H20C109.5
C6—C1—C2121.0 (3)O12—C21—N2123.7 (3)
O5—C1—C2114.1 (3)O12—C21—H21118.2
C3—C2—C1119.8 (3)N2—C21—H21118.2
C3—C2—H2120.1N2—C22—H22A109.5
C1—C2—H2120.1N2—C22—H22B109.5
C4—C3—C2120.1 (3)H22A—C22—H22B109.5
C4—C3—C7119.8 (3)N2—C22—H22C109.5
C2—C3—C7120.1 (3)H22A—C22—H22C109.5
C5—C4—C3119.8 (3)H22B—C22—H22C109.5
C5—C4—H4120.1N2—C23—H23A109.5
C3—C4—H4120.1N2—C23—H23B109.5
C4—C5—C6120.5 (3)H23A—C23—H23B109.5
C4—C5—C8119.2 (3)N2—C23—H23C109.5
C6—C5—C8120.3 (3)H23A—C23—H23C109.5
C1—C6—C5118.8 (3)H23B—C23—H23C109.5
C1—C6—H6120.6O13—C24—N3126.4 (4)
C5—C6—H6120.6O13—C24—H24116.8
O2—C7—O1125.5 (3)N3—C24—H24116.8
O2—C7—C3117.0 (3)N3—C25—H25A109.5
O1—C7—C3117.5 (2)N3—C25—H25B109.5
O3—C8—O4125.6 (3)H25A—C25—H25B109.5
O3—C8—C5116.7 (2)N3—C25—H25C109.5
O4—C8—C5117.7 (3)H25A—C25—H25C109.5
O6—C9—O5113.1 (2)H25B—C25—H25C109.5
O6—C9—H9A109.0N3—C26—H26A109.5
O5—C9—H9A109.0N3—C26—H26B109.5
O6—C9—H9B109.0H26A—C26—H26B109.5
O5—C9—H9B109.0N3—C26—H26C109.5
H9A—C9—H9B107.8H26A—C26—H26C109.5
O6—C10—C11125.2 (3)H26B—C26—H26C109.5
O6—C10—C15114.1 (3)
O8iii—Zn2—O1—C7138.9 (2)C6—C5—C8—O3169.7 (3)
O9i—Zn2—O1—C7−101.7 (2)C4—C5—C8—O4172.4 (3)
O3ii—Zn2—O1—C731.3 (2)C6—C5—C8—O4−9.2 (4)
O10i—Zn1—O2—C73.6 (3)C10—O6—C9—O5−65.0 (3)
O4ii—Zn1—O2—C7−112.5 (3)C1—O5—C9—O6−60.1 (3)
O11—Zn1—O2—C799.5 (3)C9—O6—C10—C1111.8 (4)
O12—Zn1—O2—C7161.5 (3)C9—O6—C10—C15−170.6 (2)
O10i—Zn1—O11—C18−113.8 (4)O6—C10—C11—C12177.4 (3)
O4ii—Zn1—O11—C1863.2 (4)C15—C10—C11—C120.0 (4)
O2—Zn1—O11—C18145.0 (4)C10—C11—C12—C131.5 (4)
O12—Zn1—O11—C18−18.8 (4)C10—C11—C12—C16−176.2 (2)
O10i—Zn1—O12—C21−134.1 (3)C11—C12—C13—C14−1.9 (4)
O4ii—Zn1—O12—C21−18.7 (3)C16—C12—C13—C14175.7 (3)
O11—Zn1—O12—C21129.2 (3)C12—C13—C14—C150.9 (4)
O2—Zn1—O12—C2167.6 (5)C12—C13—C14—C17−177.5 (3)
C9—O5—C1—C6−3.0 (4)O6—C10—C15—C14−178.6 (2)
C9—O5—C1—C2176.2 (2)C11—C10—C15—C14−0.9 (4)
C6—C1—C2—C3−0.3 (4)C13—C14—C15—C100.5 (4)
O5—C1—C2—C3−179.5 (2)C17—C14—C15—C10179.0 (2)
C1—C2—C3—C41.1 (4)Zn2v—O8—C16—O7−5.5 (4)
C1—C2—C3—C7179.5 (3)Zn2v—O8—C16—C12176.76 (18)
C2—C3—C4—C50.2 (4)C13—C12—C16—O7178.9 (3)
C7—C3—C4—C5−178.1 (3)C11—C12—C16—O7−3.4 (4)
C3—C4—C5—C6−2.4 (4)C13—C12—C16—O8−3.3 (4)
C3—C4—C5—C8176.0 (3)C11—C12—C16—O8174.4 (3)
O5—C1—C6—C5177.3 (3)Zn1vi—O10—C17—O941.3 (4)
C2—C1—C6—C5−1.8 (4)Zn1vi—O10—C17—C14−139.2 (2)
C4—C5—C6—C13.2 (4)Zn2vi—O9—C17—O1011.7 (4)
C8—C5—C6—C1−175.2 (3)Zn2vi—O9—C17—C14−167.89 (18)
Zn1—O2—C7—O141.7 (5)C13—C14—C17—O10172.8 (3)
Zn1—O2—C7—C3−139.1 (2)C15—C14—C17—O10−5.6 (4)
Zn2—O1—C7—O219.6 (4)C13—C14—C17—O9−7.6 (4)
Zn2—O1—C7—C3−159.64 (19)C15—C14—C17—O9174.0 (2)
C4—C3—C7—O2−10.6 (4)Zn1—O11—C18—N1−178.6 (3)
C2—C3—C7—O2171.0 (3)C19—N1—C18—O111.8 (7)
C4—C3—C7—O1168.7 (3)C20—N1—C18—O11178.2 (4)
C2—C3—C7—O1−9.7 (4)Zn1—O12—C21—N2−157.8 (3)
Zn2iv—O3—C8—O4−4.0 (5)C23—N2—C21—O125.5 (6)
Zn2iv—O3—C8—C5177.16 (19)C22—N2—C21—O12172.3 (4)
Zn1iv—O4—C8—O347.0 (4)C26—N3—C24—O13177.5 (4)
Zn1iv—O4—C8—C5−134.2 (2)C25—N3—C24—O132.8 (6)
C4—C5—C8—O3−8.7 (4)
Table 1

Selected bond lengths (Å)

Zn1—O10i1.9779 (19)
Zn1—O4ii2.010 (2)
Zn1—O112.030 (2)
Zn1—O22.052 (2)
Zn1—O122.073 (2)
Zn2—O8iii1.953 (2)
Zn2—O9i1.966 (2)
Zn2—O3ii1.967 (2)
Zn2—O11.986 (2)

Symmetry codes: (i) ; (ii) ; (iii) .

  3 in total

1.  Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks.

Authors:  Samuel M Hawxwell; Guillermo Mínguez Espallargas; Darren Bradshaw; Matthew J Rosseinsky; Timothy J Prior; Alastair J Florence; Jacco van de Streek; Lee Brammer
Journal:  Chem Commun (Camb)       Date:  2007-03-19       Impact factor: 6.222

2.  A short history of SHELX.

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

3.  Crystal structure and spectroscopic study of novel two- and three-dimensional photoluminescent Eu(III)-adipate compounds.

Authors:  YooJin Kim; Myungkoo Suh; Duk-Young Jung
Journal:  Inorg Chem       Date:  2004-01-12       Impact factor: 5.165

  3 in total

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