Information card for entry 2205252

Structure parameters

• Chemical name: dichloro[(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl- κN^4^)pentan-3-ol]copper(II) ethanol tetrasolvate
• Formula: C72 H112 Cl6 Cu N12 O8
• Calculated formula: C72 H112 Cl6 Cu N12 O8
• Title of publication: A copper(II) complex of the fungicide tebuconazole
• Authors of publication: Pei-Zhi Zhang; Jun Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m560 - m562
• a: 9.7162 ± 0.0001 Å
• b: 14.3502 ± 0.0002 Å
• c: 15.8887 ± 0.0001 Å
• α: 71.175 ± 0.003°
• β: 79.856 ± 0.003°
• γ: 78.059 ± 0.001°
• Cell volume: 2037.12 ± 0.05 ų
• Cell temperature: 273 ± 1 K
• Ambient diffraction temperature: 273 ± 1 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: 0.0778
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes