Information card for entry 2221404

Structure parameters

• Chemical name: Diaquabis(2,2'-biimidazole)zinc(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate
• Formula: C28 H24 N8 O10 Zn
• Calculated formula: C28 H24 N8 O10 Zn
• SMILES: C(=O)(c1cc(c2cc(C(=O)[O-])c(cc2)C(=O)O)ccc1C(=O)O)[O-].c12c3[nH]cc[n]3[Zn]3([n]1cc[nH]2)([OH2])([n]1c(c2[n]3cc[nH]2)[nH]cc1)[OH2]
• Title of publication: Diaquabis(2,2'-biimidazole)zinc(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate
• Authors of publication: Kang, Jie; Huang, Chang-Cang; Jiang, Zhi-Qing; Huang, Sheng; Huang, Shuang-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m452
• a: 8.2133 ± 0.0016 Å
• b: 9.81 ± 0.002 Å
• c: 10.498 ± 0.002 Å
• α: 63.72 ± 0.03°
• β: 68 ± 0.03°
• γ: 83.85 ± 0.03°
• Cell volume: 701.4 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes