Information card for entry 8102286

Structure parameters

• Chemical name: hexa-aqua-nickel(II) bis[1-(carboxylatomethyl) -1,3-benzimidazol-3-ium-3-acetato] dihydrate
• Formula: C22 H34 N4 Ni O16
• Calculated formula: C22 H34 N4 Ni O16
• Title of publication: Crystal structure of hexaaquanickel(II) bis[1-(carboxylatomethyl)-1,3-benzimidazol-3-ium-3-acetato] dihydrate, [Ni(H2O)6](C11H9N2O4)2 · 2H2O
• Authors of publication: Ling Huang; Ding-Ben Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 163
• a: 7.2081 ± 0.0006 Å
• b: 14.9198 ± 0.0013 Å
• c: 12.9608 ± 0.0011 Å
• α: 90°
• β: 100.594 ± 0.001°
• γ: 90°
• Cell volume: 1370.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No