Information card for entry 2221488

Structure parameters

• Chemical name: Diaquabis(2,2'-biimidazole)cobalt(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate
• Formula: C28 H24 Co N8 O10
• Calculated formula: C28 H24 Co N8 O10
• SMILES: c1c[nH]c2c3[n](cc[nH]3)[Co]3([n]12)([OH2])([n]1cc[nH]c1c1[n]3cc[nH]1)[OH2].C(=O)(c1ccc(c2ccc(C(=O)O)c(c2)C(=O)[O-])cc1C(=O)[O-])O
• Title of publication: Diaquabis(2,2'-biimidazole)cobalt(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate
• Authors of publication: Kang, Jie; Huang, Chang-Cang; Zhai, Lai-Sheng; Qin, Xiao-Huan; Liu, Zhong-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m380 - m381
• a: 8.2272 ± 0.0016 Å
• b: 9.772 ± 0.002 Å
• c: 10.484 ± 0.002 Å
• α: 63.81 ± 0.03°
• β: 67.93 ± 0.03°
• γ: 84.03 ± 0.03°
• Cell volume: 699 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes