Information card for entry 8107310

Structure parameters

• Formula: C60 H68 Cl10 N12 O4 Zn
• Calculated formula: C60 H68 Cl10 N12 O4 Zn
• Title of publication: Crystal structure of dichlorido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ1 N)zinc(II), C60H68O4N12Cl10Zn
• 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: 1121 - 1123
• a: 8.816 ± 0.002 Å
• b: 13.688 ± 0.004 Å
• c: 15.169 ± 0.004 Å
• α: 91.085 ± 0.005°
• β: 98.609 ± 0.004°
• γ: 106.874 ± 0.005°
• Cell volume: 1728.2 ± 0.8 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: 0.1054
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No