Information card for entry 8103082

Structure parameters

• Chemical name: monoaqua-bis((2-((2-(4-(1H-imidazol-1-yl)benzylamino)cyclo- hexylamino)methyl)benzoyloxy)nickel(II))
• Formula: C48 H58 N8 Ni O6
• Calculated formula: C48 H58 N8 Ni O6
• Title of publication: Crystal structure of bis[2-((2-(4-(1H-imidazol-1-yl)benzylamino)cyclohexylamino)methyl)benzoato]nickel(II) dihydrate, Ni(C24H27N4O2)2 · 2H2O
• Authors of publication: Daocheng Xia; Jihuan Yao; Shuang Han; Shaofei Song; Fulin Zhou; Baohua Lv; Cuijin Pei; Weibin Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 65
• a: 9.1579 ± 0.0004 Å
• b: 10.8716 ± 0.0005 Å
• c: 12.4645 ± 0.0006 Å
• α: 74.678 ± 0.004°
• β: 83.415 ± 0.004°
• γ: 67.395 ± 0.004°
• Cell volume: 1104.8 ± 0.1 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: 0.0478
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No