Information card for entry 8102468

Structure parameters

• Formula: C12 H14 N4 Ni O10
• Calculated formula: C12 H14 N4 Ni O10
• Title of publication: Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-O,N)nickel, [Ni(H2O)2(C6H5N2O4)2]
• Authors of publication: Hui-Liang Wen; Bo-Wen Lai; Xiao-Qin Wu; Xu-Liang Nie; Xiao-Bo Hu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 455
• a: 6.7627 ± 0.0002 Å
• b: 13.837 ± 0.0004 Å
• c: 16.5247 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.31 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No