Information card for entry 8105822

Structure parameters

• Formula: C40 H44 Cu Fe2 N6 O4
• Calculated formula: C40 H44 Cu Fe2 N6 O4
• Title of publication: The crystal structure of bis(ferrocenecarboxylato-κ2 O,O′)bis[4-(dimethylamino)pyridine-κN]copper(II) — acetonitrile(1/2), C40H44CuO4Fe2N6
• Authors of publication: Wang, Su-Juan; Zhu, Dong-Jian; Ren, Ai-Shan; Yan, Xiao-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 691 - 692
• a: 7.4758 ± 0.0004 Å
• b: 7.7447 ± 0.0005 Å
• c: 16.2929 ± 0.001 Å
• α: 87.111 ± 0.002°
• β: 85.196 ± 0.002°
• γ: 89.736 ± 0.002°
• Cell volume: 938.81 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No