Information card for entry 2204178

Structure parameters

• Chemical name: μ-Aqua-bis(μ-2'-carboxybiphenyl-2-carboxylato-κ^2^O:O')bis[bis(2'- carboxybiphenyl-2-carboxylato-κO)(1,10-phenanthroline-κ^2^N,N')cobalt(II)]
• Formula: C80 H54 Co2 N4 O17
• Calculated formula: C80 H54 Co2 N4 O17
• SMILES: c1ccc2ccc3c4[n](ccc3)[Co]35([n]1c24)(OC(=O)c1ccccc1c1ccccc1C(=O)O)[O]=C(O[Co]1([n]2cccc4ccc6ccc[n]1c6c24)(OC(=O)c1ccccc1c1ccccc1C(=O)O)([O]=C(O3)c1ccccc1c1ccccc1C(=O)O)[OH2]5)c1ccccc1c1ccccc1C(=O)O
• Title of publication: μ-Aqua-bis(μ-2'-carboxybiphenyl-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2'-carboxybiphenyl-2-carboxylato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II)]
• Authors of publication: Qian Miao; Mao-Lin Hu; Fan Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1314 - m1316
• a: 32.2977 ± 0.0007 Å
• b: 10.248 ± 0.0003 Å
• c: 22.6078 ± 0.0007 Å
• α: 90°
• β: 117.237 ± 0.001°
• γ: 90°
• Cell volume: 6653.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.427
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes