Information card for entry 2220497

Structure parameters

• Chemical name: Triaqua(2,2'-bipyridine)(5-nitroisophthalato-κ<i>O</i>)nickel(II) monohydrate
• Formula: C18 H19 N3 Ni O10
• Calculated formula: C18 H19 N3 Ni O10
• SMILES: [Ni]1([n]2c(c3cccc[n]13)cccc2)(OC(=O)c1cc(C(=O)[O-])cc(c1)N(=O)=O)([OH2])([OH2])[OH2].O
• Title of publication: Triaqua(2,2'-bipyridine)(5-nitroisophthalato-κ<i>O</i>)nickel(II) monohydrate
• Authors of publication: Liu, Ying; He, Qingpeng; Zhang, Xianxi; Xue, Zechun; Lv, Chunyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m27
• a: 7.4867 ± 0.001 Å
• b: 10.717 ± 0.003 Å
• c: 12.773 ± 0.002 Å
• α: 89.798 ± 0.01°
• β: 87.89 ± 0.02°
• γ: 74.675 ± 0.01°
• Cell volume: 987.7 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes