Information card for entry 8103240

Structure parameters

• Formula: C14 H22 N4 Ni O12
• Calculated formula: C14 H24 N4 Ni O13
• Title of publication: Crystal structure of diaquabis(2-ethyl-1H-imidazole-4,5-dicarboxylate)nickel(II) trihydrate, [Ni(H2O)2(C7H7N2O4)2] • 3H2O
• Authors of publication: Gai Zhang; Ai-Jie Ma; Peng-Peng Lei; Jing-Jing Shang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 649
• a: 7.1905 ± 0.0007 Å
• b: 8.8488 ± 0.0008 Å
• c: 9.3266 ± 0.0009 Å
• α: 66.22 ± 0.001°
• β: 89.155 ± 0.001°
• γ: 70.513 ± 0.001°
• Cell volume: 506.98 ± 0.08 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: 0.0353
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No