Information card for entry 2221178

Structure parameters

• Chemical name: Bis(6'-carboxy-2,2'-bipyridine-6-carboxylato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)nickel(II) tetrahydrate
• Formula: C24 H22 N4 Ni O12
• Calculated formula: C24 H22 N4 Ni O12
• SMILES: [Ni]1234(OC(=O)c5[n]1c(ccc5)c1[n]2c(ccc1)C(=O)O)OC(=O)c1[n]3c(ccc1)c1[n]4c(ccc1)C(=O)O.O.O.O.O
• Title of publication: Bis(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)nickel(II) tetrahydrate
• Authors of publication: Wang, Huimin; Su, Haiquan; Xu, Jinjin; Bai, Fenghua; Gao, Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m352 - m353
• a: 9.99 ± 0.002 Å
• b: 10.896 ± 0.002 Å
• c: 12.565 ± 0.003 Å
• α: 112.97 ± 0.03°
• β: 100.09 ± 0.03°
• γ: 90.3 ± 0.03°
• Cell volume: 1235.7 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes