Information card for entry 8107067

Structure parameters

• Formula: C48 H32 N10 O4 Zn
• Calculated formula: C48 H32 N10 O4 Zn
• Title of publication: Crystal structure of bis(benzoato-κO)bis(4,4′-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile-κN)zinc(II), C48H32N10O4Zn
• Authors of publication: Zheng, Huirong; Lou, Benyong; Zhang, Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 971 - 973
• a: 18.661 ± 0.007 Å
• b: 12.003 ± 0.004 Å
• c: 21.043 ± 0.008 Å
• α: 90°
• β: 111.632 ± 0.004°
• γ: 90°
• Cell volume: 4381 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No