Information card for entry 8105983

Structure parameters

• Formula: C40 H60 Cl2 N4 Ni O8
• Calculated formula: C40 H60 Cl2 N4 Ni O8
• Title of publication: Crystal structure of bis[(2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylato-κ1O) (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)]nickel(II), C40H60Cl2N4NiO8
• Authors of publication: Liao, Yang; Yan, Rong-Ling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1215 - 1216
• a: 8.2372 ± 0.0008 Å
• b: 9.71 ± 0.001 Å
• c: 13.7518 ± 0.0014 Å
• α: 100.06 ± 0.001°
• β: 101.854 ± 0.001°
• γ: 91.675 ± 0.001°
• Cell volume: 1057.48 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No