Information card for entry 8105569

Structure parameters

• Formula: C60 H74 Cd Cl6 N12 O4
• Calculated formula: C60 H72 Cd Cl6 N12 O4
• Title of publication: Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4
• Authors of publication: Huang, Jian-Ping; Cheng, Li; Huang, Ying; Song, Xiu-Ying; Kang, Nian-Qian; Nie, Xu-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 141 - 143
• a: 9.1036 ± 0.0018 Å
• b: 13.197 ± 0.003 Å
• c: 15.035 ± 0.003 Å
• α: 93.716 ± 0.002°
• β: 99.904 ± 0.002°
• γ: 104.928 ± 0.002°
• Cell volume: 1708 ± 0.6 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: 0.0288
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No