Information card for entry 2230362

Structure parameters

• Chemical name: Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^)(4,4'-dimethyl-2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc
• Formula: C21 H20 N2 O8 Zn
• Calculated formula: C21 H20 N2 O8 Zn
• SMILES: [Zn]1(OC(=O)c2cc(C(=O)O)cc(C(=O)[O-])c2)([OH2])([OH2])[n]2ccc(C)cc2c2[n]1ccc(c2)C
• Title of publication: Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc
• Authors of publication: Mei, Chong-Zhen; Li, Kai-Hui; Shan, Wen-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m804
• a: 9.1938 ± 0.0009 Å
• b: 10.7978 ± 0.0008 Å
• c: 11.5842 ± 0.0007 Å
• α: 85.238 ± 0.006°
• β: 72.96 ± 0.007°
• γ: 69.76 ± 0.008°
• Cell volume: 1031.4 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes