Information card for entry 8102625

Structure parameters

• Formula: C24 H29.5 N4 Ni O5.25
• Calculated formula: C24 H27 N4 Ni O5.25
• Title of publication: Crystal structure of aqua-[(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylato]-[1,2-bis(imidazol-1-ylmethyl)benzene]nickel(II) hydrate, Ni(H2O)(C10H13O4)(C14H14N4) · 0.25H2O
• Authors of publication: Jia-Jun Han; Xiu-Lian Ren; Lin Geng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 141
• a: 11.3145 ± 0.0008 Å
• b: 18.0861 ± 0.0012 Å
• c: 12.3741 ± 0.0008 Å
• α: 90°
• β: 96.817 ± 0.006°
• γ: 90°
• Cell volume: 2514.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No