Information card for entry 8101851

Structure parameters

• Chemical name: bis(2,2'-bipyridine-N,N')bis(4-chlorobenzoato)cadmium(II) trihydrate
• Formula: C34 H30 Cd Cl2 N4 O7
• Calculated formula: C34 H30 Cd Cl2 N4 O7
• SMILES: [Cd]12([n]3c(c4[n]1cccc4)cccc3)([n]1ccccc1c1[n]2cccc1)(OC(=O)c1ccc(Cl)cc1)OC(=O)c1ccc(Cl)cc1.O.O.O
• Title of publication: Crystal structure of bis(2,2'-bipyridine-N,N')-bis(4-chlorobenzoato) cadmium(II) trihydrate, [Cd(C~7~H~4~O~2~Cl)~2~(C~10~H~8~N~2~)~2~] · 3H~2~O
• Authors of publication: B.-S. Zhang; Y.-H. Huang; H.-M. Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 376 - 378
• a: 13.7555 ± 0.0002 Å
• b: 20.4059 ± 0.0003 Å
• c: 12.3696 ± 0.0002 Å
• α: 90°
• β: 106.568 ± 0.001°
• γ: 90°
• Cell volume: 3327.91 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No