Information card for entry 8107662

Structure parameters

• Formula: C20 H22 Cu3 N8 O10
• Calculated formula: C20 H22 Cu3 N8 O10
• Title of publication: Crystal structure of polybis(μ 4-3,5-dicarboxylatopyrazol-1-yl)-bis(N,N-dimethylformamide)tri-copper(II)–acetonitrile (1/2), C20H22Cu3N8O10
• Authors of publication: Wang, Yan-Qing; Yan, Wen-Qing; Nie, Li-Xue; Luan, Ping-Ping; Li, Chao-Qun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1069 - 1070
• a: 12.0766 ± 0.0011 Å
• b: 16.2778 ± 0.0014 Å
• c: 14.7605 ± 0.0013 Å
• α: 90°
• β: 97.858 ± 0.001°
• γ: 90°
• Cell volume: 2874.4 ± 0.4 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No