Information card for entry 4501977

Structure parameters

• Formula: C44 H41 Cl Cu Fe Mn N11 O9
• Calculated formula: C44 H39 Cl Cu Fe Mn N11 O9
• Title of publication: Synthesis, Crystal Structures, and Magnetic Properties of One-Dimensional Mixed Cyanide- and Phenolate-Bridged Heterotrimetallic Complexes
• Authors of publication: Wang, Hailong; Zhang, Li-Fang; Ni, Zhong-Hai; Zhong, Wei-Feng; Tian, Lai-Jin; Jiang, Jianzhuang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4231
• a: 13.518 ± 0.003 Å
• b: 20.275 ± 0.004 Å
• c: 16.838 ± 0.004 Å
• α: 90°
• β: 92.831 ± 0.003°
• γ: 90°
• Cell volume: 4609.3 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No