Literature DB >> 24454152

Di-μ 2-acetato-1:2κ (2) O:O';2:3κ (2) O:O'-bis-{μ 2-4,4'-di-chloro-2,2'-[2,2-di-methyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}-1:2κ (6) O,N,N',O':O,O';2:3κ (6) O,O':O,N,N',O'-tri-cadmium.

Koji Kubono1, Keita Tani1, Kunihiko Yokoi1, Teruo Shinmyozu2, Kenta Goto2.   

Abstract

In the title linear homo-trinuclear complex, [Cd3(C19H18Cl2N2O2)2(C2H3O2)2], the central Cd(II) atom is located on a centre of inversion and has a distorted octa-hedral coordination geometry formed by four O atoms from two bidentate/tetra-dentate Schiff base ligands and two O atoms from two bridging acetate ligands. The coordination geometry of the terminal Cd(II) atom is square-pyramidal with the tetra-dentate part of the ligand in the basal plane and one O atom from an acetate ligand occupying the apical site. The six-membered CdN2C3 ring adopts a chair conformation. The acetate-bridged Cd⋯Cd distance is 3.3071 (2) Å. The crystal structure is stabilized by C-H⋯O hydrogen bonds, which form C(7) chain motifs and give rise to a two-dimensional supra-molecular network structure lying parallel to the ab plane.

Entities:  

Year:  2013        PMID: 24454152      PMCID: PMC3884977          DOI: 10.1107/S1600536813029413

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


Related literature

For metalloligands, see: Du et al. (2012 ▶); Carlucci et al. (2011 ▶); Das et al. (2011 ▶). Metal complexes with the Schiff base ligand, bis­(salicyl­idene)propane-1,3-di­amine can be metalloligands, forming linear homo- or hetero-trinuclear complexes with divalent metal salts, see: Atakol, Arıcı et al. (1999 ▶), Das et al. (2013 ▶); Fukuhara et al. (1990 ▶). For related structures, see: Atakol, Aksu et al. (1999 ▶); Kubono et al. (2012 ▶); Xue et al. (2012 ▶). For analysis of ring conformations, see: Cremer & Pople (1975 ▶). For hydrogen-bond motifs, see: Bernstein et al. (1995 ▶).

Experimental

Crystal data

[Cd3(C19H18Cl2N2O2)2(C2H3O2)2] M = 1209.83 Orthorhombic, a = 19.3078 (15) Å b = 11.2651 (8) Å c = 20.535 (3) Å V = 4466.5 (8) Å3 Z = 4 Mo Kα radiation μ = 1.71 mm−1 T = 123 K 0.21 × 0.16 × 0.11 mm

Data collection

Rigaku RAPID-HR diffractometer Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.727, T max = 0.828 70676 measured reflections 5107 independent reflections 4990 reflections with I > 2σ(I) R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.019 wR(F 2) = 0.058 S = 1.00 5107 reflections 280 parameters H-atom parameters constrained Δρmax = 0.43 e Å−3 Δρmin = −0.84 e Å−3 Data collection: RAPID-AUTO (Rigaku, 2006 ▶); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SIR92 (Altomare, et al., 1993 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009) ▶; software used to prepare material for publication: CrystalStructure (Rigaku, 2010 ▶). Crystal structure: contains datablock(s) General, I. DOI: 10.1107/S1600536813029413/cq2008sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813029413/cq2008Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Cd3(C19H18Cl2N2O2)2(C2H3O2)2]F(000) = 2392.00
Mr = 1209.83Dx = 1.799 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ac 2abCell parameters from 65865 reflections
a = 19.3078 (15) Åθ = 3.2–27.5°
b = 11.2651 (8) ŵ = 1.71 mm1
c = 20.535 (3) ÅT = 123 K
V = 4466.5 (8) Å3Prism, colorless
Z = 40.21 × 0.16 × 0.11 mm
Rigaku RAPID-HR diffractometer4990 reflections with F2 > 2.0σ(F2)
Detector resolution: 10.00 pixels mm-1Rint = 0.025
ω scansθmax = 27.5°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)h = −24→24
Tmin = 0.727, Tmax = 0.828k = −14→14
70676 measured reflectionsl = −26→26
5107 independent reflections
Refinement on F2Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.019Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.058H-atom parameters constrained
S = 1.00w = 1/[σ2(Fo2) + (0.043P)2 + 1.9282P] where P = (Fo2 + 2Fc2)/3
5107 reflections(Δ/σ)max = 0.002
280 parametersΔρmax = 0.43 e Å3
0 restraintsΔρmin = −0.84 e Å3
Primary atom site location: structure-invariant direct methods
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 was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).
xyzUiso*/Ueq
Cd10.362773 (5)0.859740 (9)0.441968 (5)0.02095 (5)
Cd20.50001.00000.50000.01883 (5)
Cl10.51482 (2)1.15865 (3)0.144318 (18)0.02734 (8)
Cl20.20809 (2)1.33156 (4)0.66126 (2)0.03710 (10)
O10.45450 (5)0.95298 (10)0.40088 (5)0.0225 (2)
O20.38433 (5)0.99130 (10)0.52101 (6)0.0257 (3)
O30.40248 (6)0.70129 (10)0.48903 (5)0.0250 (3)
O40.49801 (6)0.79948 (11)0.51990 (7)0.0299 (3)
N10.32621 (6)0.85897 (10)0.33787 (6)0.0212 (3)
N20.25153 (6)0.89528 (12)0.46924 (6)0.0251 (3)
C10.46601 (7)0.99631 (12)0.34260 (7)0.0194 (3)
C20.52539 (7)1.06800 (13)0.33204 (7)0.0226 (3)
C30.53978 (8)1.11685 (13)0.27195 (7)0.0237 (3)
C40.49576 (7)1.09536 (13)0.21952 (7)0.0214 (3)
C50.43805 (7)1.02528 (13)0.22745 (7)0.0206 (3)
C60.42155 (7)0.97504 (12)0.28852 (7)0.0192 (3)
C70.35682 (7)0.90848 (13)0.28945 (7)0.0208 (3)
C80.26034 (8)0.79767 (13)0.32396 (8)0.0269 (3)
C90.19671 (8)0.84468 (14)0.36087 (8)0.0258 (3)
C100.19962 (8)0.82302 (16)0.43504 (8)0.0300 (4)
C110.18625 (9)0.97609 (16)0.34678 (9)0.0350 (4)
C120.13541 (9)0.7716 (3)0.33557 (11)0.0470 (6)
C130.22970 (8)0.97577 (17)0.50828 (8)0.0267 (3)
C140.26924 (7)1.06011 (15)0.54673 (7)0.0243 (3)
C150.22917 (8)1.14259 (15)0.58208 (8)0.0276 (4)
C160.25948 (8)1.22761 (15)0.62020 (7)0.0280 (4)
C170.33148 (8)1.23407 (15)0.62587 (8)0.0290 (4)
C180.37173 (8)1.15406 (15)0.59164 (8)0.0264 (4)
C190.34295 (8)1.06565 (14)0.55137 (7)0.0224 (3)
C200.45884 (8)0.71155 (13)0.52040 (7)0.0230 (3)
C210.47888 (10)0.60752 (18)0.56294 (10)0.0379 (4)
H20.55611.08270.36730.0271*
H30.57971.16510.26630.0284*
H50.40881.01040.19120.0247*
H70.33420.90060.24860.0250*
H8A0.26610.71250.33450.0322*
H8B0.25100.80360.27670.0322*
H10A0.15340.84000.45380.0360*
H10B0.20990.73810.44290.0360*
H11A0.14551.00480.37050.0420*
H11B0.17930.98760.29990.0420*
H11C0.22721.02050.36090.0420*
H12A0.12830.78840.28920.0564*
H12B0.09350.79280.35990.0564*
H12C0.14520.68690.34140.0564*
H130.18080.98100.51270.0320*
H150.18011.13900.57940.0332*
H170.35241.29250.65280.0348*
H180.42071.15890.59540.0317*
H21A0.47600.63090.60880.0454*
H21B0.52640.58310.55270.0454*
H21C0.44720.54120.55480.0454*
U11U22U33U12U13U23
Cd10.01340 (7)0.02433 (7)0.02512 (8)0.00059 (3)0.00053 (3)0.00617 (4)
Cd20.01134 (8)0.02545 (9)0.01971 (9)0.00049 (5)0.00088 (5)0.00179 (5)
Cl10.02882 (18)0.03126 (18)0.02194 (17)−0.00684 (14)0.00090 (14)0.00652 (13)
Cl20.0367 (3)0.0413 (3)0.0332 (2)0.01901 (18)0.01043 (17)0.00549 (17)
O10.0169 (5)0.0313 (6)0.0192 (5)−0.0029 (4)0.0008 (4)0.0037 (4)
O20.0130 (5)0.0361 (6)0.0279 (6)0.0022 (4)0.0028 (5)−0.0027 (5)
O30.0213 (5)0.0280 (6)0.0257 (5)0.0032 (5)0.0015 (4)0.0065 (4)
O40.0257 (6)0.0267 (6)0.0372 (7)0.0003 (4)0.0035 (5)0.0063 (5)
N10.0161 (6)0.0207 (6)0.0269 (7)−0.0006 (5)0.0010 (5)−0.0003 (5)
N20.0147 (6)0.0366 (7)0.0241 (7)−0.0010 (6)0.0008 (5)0.0066 (5)
C10.0156 (7)0.0212 (7)0.0214 (7)0.0021 (5)0.0024 (6)0.0014 (5)
C20.0158 (7)0.0299 (7)0.0219 (7)−0.0024 (6)−0.0010 (5)0.0017 (6)
C30.0177 (7)0.0270 (7)0.0263 (7)−0.0040 (6)0.0016 (6)0.0014 (6)
C40.0210 (7)0.0232 (7)0.0200 (7)0.0003 (5)0.0026 (5)0.0029 (6)
C50.0187 (7)0.0228 (6)0.0203 (7)0.0007 (6)−0.0012 (5)−0.0006 (6)
C60.0157 (6)0.0194 (6)0.0224 (7)0.0010 (5)0.0019 (5)−0.0007 (5)
C70.0176 (7)0.0208 (7)0.0241 (7)0.0008 (5)−0.0004 (5)−0.0033 (6)
C80.0214 (7)0.0223 (7)0.0369 (8)−0.0065 (6)0.0044 (6)−0.0052 (6)
C90.0176 (7)0.0291 (8)0.0306 (8)−0.0044 (6)0.0003 (6)−0.0040 (6)
C100.0177 (7)0.0377 (9)0.0346 (9)−0.0084 (7)0.0026 (6)0.0049 (7)
C110.0314 (9)0.0352 (9)0.0383 (9)0.0094 (7)−0.0095 (8)0.0005 (8)
C120.0240 (9)0.0685 (15)0.0485 (12)−0.0192 (9)0.0050 (8)−0.0235 (11)
C130.0124 (7)0.0436 (9)0.0241 (7)0.0026 (7)0.0018 (6)0.0069 (7)
C140.0163 (7)0.0363 (8)0.0202 (7)0.0053 (6)0.0014 (5)0.0065 (6)
C150.0168 (7)0.0435 (10)0.0225 (8)0.0096 (6)0.0038 (6)0.0092 (6)
C160.0263 (8)0.0345 (8)0.0232 (7)0.0124 (7)0.0062 (6)0.0062 (6)
C170.0266 (8)0.0328 (8)0.0276 (8)0.0027 (7)0.0027 (6)0.0011 (7)
C180.0181 (7)0.0338 (8)0.0273 (8)0.0029 (6)0.0008 (6)0.0020 (6)
C190.0151 (7)0.0308 (8)0.0213 (7)0.0033 (6)0.0027 (5)0.0058 (6)
C200.0210 (7)0.0262 (7)0.0218 (7)0.0046 (6)0.0051 (6)0.0042 (6)
C210.0333 (10)0.0339 (9)0.0463 (11)−0.0015 (8)−0.0108 (8)0.0164 (8)
Cd1—O12.2253 (11)C9—C121.532 (3)
Cd1—O22.2370 (12)C13—C141.452 (3)
Cd1—O32.1698 (12)C14—C151.410 (3)
Cd1—N12.2513 (13)C14—C191.428 (2)
Cd1—N22.2555 (12)C15—C161.368 (3)
Cd2—O12.2794 (11)C16—C171.397 (3)
Cd2—O1i2.2794 (11)C17—C181.382 (3)
Cd2—O22.2767 (10)C18—C191.409 (3)
Cd2—O2i2.2767 (10)C20—C211.512 (3)
Cd2—O42.2959 (13)C2—H20.950
Cd2—O4i2.2959 (13)C3—H30.950
Cl1—C41.7403 (15)C5—H50.950
Cl2—C161.7512 (17)C7—H70.950
O1—C11.3115 (18)C8—H8A0.990
O2—C191.3147 (19)C8—H8B0.990
O3—C201.2698 (19)C10—H10A0.990
O4—C201.246 (2)C10—H10B0.990
N1—C71.2842 (19)C11—H11A0.980
N1—C81.475 (2)C11—H11B0.980
N2—C101.470 (2)C11—H11C0.980
N2—C131.282 (3)C12—H12A0.980
C1—C21.419 (2)C12—H12B0.980
C1—C61.424 (2)C12—H12C0.980
C2—C31.379 (2)C13—H130.950
C3—C41.393 (2)C15—H150.950
C4—C51.375 (2)C17—H170.950
C5—C61.412 (2)C18—H180.950
C6—C71.458 (2)C21—H21A0.980
C8—C91.538 (3)C21—H21B0.980
C9—C101.544 (3)C21—H21C0.980
C9—C111.522 (3)
O1—Cd1—O279.30 (4)N2—C13—C14129.06 (14)
O1—Cd1—O3106.02 (5)C13—C14—C15114.99 (13)
O1—Cd1—N183.76 (4)C13—C14—C19126.08 (14)
O1—Cd1—N2140.20 (5)C15—C14—C19118.93 (14)
O2—Cd1—O398.98 (5)C14—C15—C16121.40 (15)
O2—Cd1—N1138.58 (5)Cl2—C16—C15120.08 (12)
O2—Cd1—N283.07 (5)Cl2—C16—C17119.27 (13)
O3—Cd1—N1122.04 (4)C15—C16—C17120.65 (15)
O3—Cd1—N2111.83 (5)C16—C17—C18118.89 (15)
N1—Cd1—N286.44 (5)C17—C18—C19122.53 (15)
O1—Cd2—O1i180.00 (6)O2—C19—C14123.11 (14)
O1—Cd2—O277.36 (4)O2—C19—C18119.28 (14)
O1—Cd2—O2i102.64 (4)C14—C19—C18117.60 (14)
O1—Cd2—O485.63 (5)O3—C20—O4126.03 (15)
O1—Cd2—O4i94.37 (5)O3—C20—C21116.22 (14)
O1i—Cd2—O2102.64 (4)O4—C20—C21117.74 (15)
O1i—Cd2—O2i77.36 (4)C1—C2—H2119.118
O1i—Cd2—O494.37 (5)C3—C2—H2119.114
O1i—Cd2—O4i85.63 (5)C2—C3—H3120.024
O2—Cd2—O2i180.00 (6)C4—C3—H3120.026
O2—Cd2—O484.69 (4)C4—C5—H5119.399
O2—Cd2—O4i95.31 (4)C6—C5—H5119.406
O2i—Cd2—O495.31 (4)N1—C7—H7115.542
O2i—Cd2—O4i84.69 (4)C6—C7—H7115.541
O4—Cd2—O4i180.00 (7)N1—C8—H8A108.369
Cd1—O1—Cd294.46 (4)N1—C8—H8B108.371
Cd1—O1—C1131.04 (9)C9—C8—H8A108.384
Cd2—O1—C1131.54 (9)C9—C8—H8B108.387
Cd1—O2—Cd294.22 (5)H8A—C8—H8B107.442
Cd1—O2—C19130.77 (10)N2—C10—H10A108.721
Cd2—O2—C19131.19 (10)N2—C10—H10B108.717
Cd1—O3—C20116.99 (10)C9—C10—H10A108.725
Cd2—O4—C20142.52 (11)C9—C10—H10B108.728
Cd1—N1—C7126.10 (10)H10A—C10—H10B107.633
Cd1—N1—C8117.13 (10)C9—C11—H11A109.477
C7—N1—C8116.76 (13)C9—C11—H11B109.476
Cd1—N2—C10115.62 (10)C9—C11—H11C109.471
Cd1—N2—C13126.45 (11)H11A—C11—H11B109.472
C10—N2—C13117.80 (13)H11A—C11—H11C109.461
O1—C1—C2119.22 (13)H11B—C11—H11C109.470
O1—C1—C6123.16 (13)C9—C12—H12A109.468
C2—C1—C6117.62 (13)C9—C12—H12B109.476
C1—C2—C3121.77 (14)C9—C12—H12C109.467
C2—C3—C4119.95 (14)H12A—C12—H12B109.466
Cl1—C4—C3119.06 (11)H12A—C12—H12C109.472
Cl1—C4—C5120.77 (11)H12B—C12—H12C109.479
C3—C4—C5120.17 (14)N2—C13—H13115.482
C4—C5—C6121.20 (13)C14—C13—H13115.461
C1—C6—C5119.28 (13)C14—C15—H15119.306
C1—C6—C7126.39 (13)C16—C15—H15119.296
C5—C6—C7114.28 (13)C16—C17—H17120.554
N1—C7—C6128.92 (14)C18—C17—H17120.553
N1—C8—C9115.61 (13)C17—C18—H18118.727
C8—C9—C10113.76 (13)C19—C18—H18118.741
C8—C9—C11110.32 (13)C20—C21—H21A109.462
C8—C9—C12105.37 (14)C20—C21—H21B109.465
C10—C9—C11110.26 (14)C20—C21—H21C109.462
C10—C9—C12106.13 (14)H21A—C21—H21B109.487
C11—C9—C12110.83 (15)H21A—C21—H21C109.485
N2—C10—C9114.13 (14)H21B—C21—H21C109.466
O1—Cd1—O2—Cd2−28.74 (4)O4—Cd2—O2—C19142.33 (11)
O1—Cd1—O2—C19130.57 (11)O2—Cd2—O4i—C20i156.99 (16)
O2—Cd1—O1—Cd228.71 (4)O4i—Cd2—O2—Cd1121.51 (5)
O2—Cd1—O1—C1−133.05 (10)O4i—Cd2—O2—C19−37.67 (11)
O1—Cd1—O3—C2039.81 (8)O2i—Cd2—O4—C20−156.99 (16)
O3—Cd1—O1—Cd2−67.66 (5)O4—Cd2—O2i—Cd1i−121.51 (5)
O3—Cd1—O1—C1130.58 (9)O4—Cd2—O2i—C19i37.67 (11)
O1—Cd1—N1—C7−4.33 (9)O2i—Cd2—O4i—C20i−23.01 (16)
O1—Cd1—N1—C8176.77 (8)O4i—Cd2—O2i—Cd1i58.49 (5)
N1—Cd1—O1—Cd2170.75 (5)O4i—Cd2—O2i—C19i−142.33 (11)
N1—Cd1—O1—C18.98 (9)Cd1—O1—C1—C2170.40 (7)
O1—Cd1—N2—C10120.25 (8)Cd1—O1—C1—C6−9.61 (19)
O1—Cd1—N2—C13−55.53 (13)Cd2—O1—C1—C215.04 (18)
N2—Cd1—O1—Cd293.98 (7)Cd2—O1—C1—C6−164.98 (8)
N2—Cd1—O1—C1−67.79 (12)Cd1—O2—C19—C1412.4 (2)
O2—Cd1—O3—C20−41.55 (8)Cd1—O2—C19—C18−168.95 (8)
O3—Cd1—O2—Cd276.00 (5)Cd2—O2—C19—C14164.46 (9)
O3—Cd1—O2—C19−124.68 (10)Cd2—O2—C19—C18−16.9 (2)
O2—Cd1—N1—C761.70 (12)Cd1—O3—C20—O4−9.83 (19)
O2—Cd1—N1—C8−117.20 (7)Cd1—O3—C20—C21169.05 (7)
N1—Cd1—O2—Cd2−96.32 (6)Cd2—O4—C20—O322.9 (3)
N1—Cd1—O2—C1962.99 (12)Cd2—O4—C20—C21−155.94 (13)
O2—Cd1—N2—C10−175.73 (9)Cd1—N1—C7—C60.7 (2)
O2—Cd1—N2—C138.50 (10)Cd1—N1—C8—C958.78 (13)
N2—Cd1—O2—Cd2−172.89 (5)C7—N1—C8—C9−120.22 (14)
N2—Cd1—O2—C19−13.58 (10)C8—N1—C7—C6179.65 (12)
O3—Cd1—N1—C7−109.35 (9)Cd1—N2—C10—C9−64.13 (14)
O3—Cd1—N1—C871.75 (9)Cd1—N2—C13—C14−3.0 (3)
N1—Cd1—O3—C20132.47 (7)C10—N2—C13—C14−178.65 (14)
O3—Cd1—N2—C10−78.79 (8)C13—N2—C10—C9112.03 (16)
O3—Cd1—N2—C13105.43 (10)O1—C1—C2—C3−179.39 (12)
N2—Cd1—O3—C20−127.64 (8)O1—C1—C6—C5−179.95 (11)
N1—Cd1—N2—C1044.42 (8)O1—C1—C6—C72.7 (3)
N1—Cd1—N2—C13−131.36 (10)C2—C1—C6—C50.03 (19)
N2—Cd1—N1—C7137.03 (10)C2—C1—C6—C7−177.28 (12)
N2—Cd1—N1—C8−41.86 (8)C6—C1—C2—C30.6 (2)
O1—Cd2—O2—Cd128.21 (4)C1—C2—C3—C4−0.6 (2)
O1—Cd2—O2—C19−130.97 (11)C2—C3—C4—Cl1179.67 (12)
O2—Cd2—O1—Cd1−28.38 (4)C2—C3—C4—C5−0.2 (2)
O2—Cd2—O1—C1133.23 (10)Cl1—C4—C5—C6−179.00 (9)
O1—Cd2—O2i—Cd1i151.79 (4)C3—C4—C5—C60.8 (2)
O1—Cd2—O2i—C19i−49.03 (11)C4—C5—C6—C1−0.8 (2)
O2i—Cd2—O1—Cd1151.62 (4)C4—C5—C6—C7176.87 (12)
O2i—Cd2—O1—C1−46.77 (10)C1—C6—C7—N11.8 (3)
O1—Cd2—O4—C20−54.67 (16)C5—C6—C7—N1−175.58 (13)
O4—Cd2—O1—Cd157.15 (5)N1—C8—C9—C10−66.99 (16)
O4—Cd2—O1—C1−141.24 (9)N1—C8—C9—C1157.51 (16)
O1—Cd2—O4i—C20i−125.33 (16)N1—C8—C9—C12177.18 (11)
O4i—Cd2—O1—Cd1−122.85 (5)C8—C9—C10—N270.18 (17)
O4i—Cd2—O1—C138.76 (9)C11—C9—C10—N2−54.36 (17)
O1i—Cd2—O2—Cd1−151.79 (4)C12—C9—C10—N2−174.44 (14)
O1i—Cd2—O2—C1949.03 (11)N2—C13—C14—C15176.27 (16)
O2—Cd2—O1i—Cd1i−151.62 (4)N2—C13—C14—C19−3.8 (3)
O2—Cd2—O1i—C1i46.77 (10)C13—C14—C15—C16−179.71 (14)
O1i—Cd2—O2i—Cd1i−28.21 (4)C13—C14—C19—O2−1.1 (3)
O1i—Cd2—O2i—C19i130.97 (11)C13—C14—C19—C18−179.75 (14)
O2i—Cd2—O1i—Cd1i28.38 (4)C15—C14—C19—O2178.88 (14)
O2i—Cd2—O1i—C1i−133.23 (10)C15—C14—C19—C180.2 (2)
O1i—Cd2—O4—C20125.33 (16)C19—C14—C15—C160.3 (3)
O4—Cd2—O1i—Cd1i122.85 (5)C14—C15—C16—Cl2177.90 (13)
O4—Cd2—O1i—C1i−38.76 (9)C14—C15—C16—C17−0.9 (3)
O1i—Cd2—O4i—C20i54.67 (16)Cl2—C16—C17—C18−177.94 (10)
O4i—Cd2—O1i—Cd1i−57.15 (5)C15—C16—C17—C180.8 (3)
O4i—Cd2—O1i—C1i141.24 (9)C16—C17—C18—C19−0.3 (3)
O2—Cd2—O4—C2023.01 (16)C17—C18—C19—O2−178.95 (14)
O4—Cd2—O2—Cd1−58.49 (5)C17—C18—C19—C14−0.2 (3)
D—H···AD—HH···AD···AD—H···A
C15—H15···O3ii0.952.543.248 (2)131
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A D—HH⋯A DA D—H⋯A
C15—H15⋯O3i 0.952.543.248 (2)131

Symmetry code: (i) .

  4 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.  Functional mixed metal-organic frameworks with metalloligands.

Authors:  Madhab C Das; Shengchang Xiang; Zhangjing Zhang; Banglin Chen
Journal:  Angew Chem Int Ed Engl       Date:  2011-09-16       Impact factor: 15.336

3.  Di-μ(2)-acetato-1:2κ(2)O:O';2:3κ(2)O:O'-bis-{μ(2)-4,4'-dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}-1:2κ(6)O,N,N',O':O,O';2:3κ(6)O,O':O,N,N',O'-tricopper(II).

Authors:  Koji Kubono; Keita Tani; Kunihiko Yokoi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-10-31

4.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.