Information card for entry 7703133

Structure parameters

• Formula: C187 H146 Cl12 Cu12 N24 O12
• Calculated formula: C187 H146 Cl12 Cu12 N24 O12
• 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: 29.0473 ± 0.0009 Å
• b: 16.4211 ± 0.0007 Å
• c: 19.2985 ± 0.0007 Å
• α: 90°
• β: 100.186 ± 0.003°
• γ: 90°
• Cell volume: 9060.1 ± 0.6 ų
• Cell temperature: 120 ± 10 K
• Ambient diffraction temperature: 120 ± 10 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No