Information card for entry 2218324

Structure parameters

• Chemical name: (5,5'-Dicarboxybiphenyl-2,2'-dicarboxylato-κ^2^O^2^,O^2'^)bis(1,10- phenanthroline-κ^2^N,N')cobalt(II) dihydrate
• Formula: C40 H28 Co N4 O10
• Calculated formula: C40 H28 Co N4 O10
• SMILES: c12C(=O)O[Co]34([n]5cccc6c5c5[n]3cccc5cc6)([n]3cccc5c3c3[n]4cccc3cc5)OC(=O)c3c(c1cc(cc2)C(=O)O)cc(cc3)C(=O)O.O.O
• Title of publication: (5,5'-Dicarboxybiphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^2'^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dihydrate
• Authors of publication: Chen, Ruizhan; Guo, Feijun; Meng, Fanlei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m761
• a: 16.9272 ± 0.0014 Å
• b: 9.4514 ± 0.0008 Å
• c: 22.0458 ± 0.0019 Å
• α: 90°
• β: 96.056 ± 0.001°
• γ: 90°
• Cell volume: 3507.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes