Information card for entry 8102285

Structure parameters

• Formula: C12 H13 N2 Ni O8
• Calculated formula: C12 H13 N2 Ni O8
• Title of publication: Crystal structure of poly-aqua[(pyridine-2,6-dicarboxylic acid N-oxide) (4,4'-bipyridine)nickel(II) dihydrate, (Ni(C7H3NO5)(C10N2H8)0.5(H2O)) · 2H2O
• Authors of publication: Chun-Sheng Zhou; Guo-Chun Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 175
• a: 7.5793 ± 0.001 Å
• b: 10.4791 ± 0.0013 Å
• c: 11.0258 ± 0.0014 Å
• α: 109.295 ± 0.002°
• β: 107.267 ± 0.002°
• γ: 104.026 ± 0.002°
• Cell volume: 730.8 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No