Information card for entry 2211160

Structure parameters

• Chemical name: Tetrakis[(2,2'-bipyridine-N,N')-μ~2~-(1H-imidazole- 4,5-dicarboxylato-N,O: N',O')cobalt(III)] hexadecahydrate
• Formula: C60 H68 Co4 N16 O32
• Calculated formula: C60 H68 Co4 N16 O32
• SMILES: C1(=O)c2c3C(=O)O[Co]456([n]3cn2[Co]23([n]7ccccc7c7[n]2cccc7)(O1)[n]1c(c2n(c1)[Co]17([n]8c(c9C(=O)O[Co]%10%11([n]%12c(c(n4c%12)C(=O)O6)C(=O)O%10)(n9c8)[n]4ccccc4c4[n]%11cccc4)C(=O)O7)([n]4ccccc4c4[n]1cccc4)OC2=O)C(=O)O3)[n]1c(c2[n]5cccc2)cccc1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: <i>cyclo</i>-Tetrakis(μ-1<i>H</i>-imidazole-4,5-dicarboxylato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>')tetrakis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexadecahydrate
• Authors of publication: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2860 - m2862
• a: 11.7238 ± 0.0002 Å
• b: 13.535 ± 0.0001 Å
• c: 13.6101 ± 0.0001 Å
• α: 65.066 ± 0.002°
• β: 72.973 ± 0.002°
• γ: 73.131 ± 0.001°
• Cell volume: 1837.59 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes