Information card for entry 8107313

Structure parameters

• Formula: C60 H68 Br2 Cl8 N12 O4 Zn
• Calculated formula: C60 H68 Br2 Cl8 N12 O4 Zn
• Title of publication: Crystal structure of dibromido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)zinc(II), C60H68O4N12Br2Cl8Zn
• Authors of publication: Li, Jie; Yan, Biao; Li, Hongya
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1129 - 1131
• a: 9.0149 ± 0.0013 Å
• b: 13.671 ± 0.002 Å
• c: 15.168 ± 0.002 Å
• α: 92.28 ± 0.003°
• β: 97.441 ± 0.002°
• γ: 107.862 ± 0.002°
• Cell volume: 1758 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No