Information card for entry 2227125

Structure parameters

• Chemical name: Hexaaquacobalt(II) 3,3'-dicarboxybiphenyl-4,4'-dicarboxylate
• Formula: C16 H20 Co O14
• Calculated formula: C16 H20 Co O14
• SMILES: c1(cc(c2cc(c(cc2)C(=O)[O-])C(=O)O)ccc1C(=O)[O-])C(=O)O.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquacobalt(II) 3,3'-dicarboxybiphenyl-4,4'-dicarboxylate
• Authors of publication: Zhang, Yu-Hua; Han, Jin-Mei; Li, Zong-Ze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1007
• a: 6.5197 ± 0.0014 Å
• b: 7.9514 ± 0.0017 Å
• c: 9.664 ± 0.002 Å
• α: 76.339 ± 0.002°
• β: 87.656 ± 0.002°
• γ: 86.221 ± 0.002°
• Cell volume: 485.59 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes