Information card for entry 7703134

Structure parameters

• Formula: C77 H56 Cl5 Cu5 N10 O2
• Calculated formula: C77 H56 Cl5 Cu5 N10 O2
• Title of publication: A systematic investigation of structural transformation in a copper pyrazolato system: a case study.
• Authors of publication: Chen, Jing-Huo; Wei, Donghui; Yang, Guang; Ma, Jian-Gong; Cheng, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1116 - 1123
• a: 16.2557 ± 0.0011 Å
• b: 17.0114 ± 0.0012 Å
• c: 17.9429 ± 0.0011 Å
• α: 72.065 ± 0.006°
• β: 68.528 ± 0.006°
• γ: 86.629 ± 0.006°
• Cell volume: 4384.9 ± 0.6 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.142
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No