Information card for entry 4303222

Structure parameters

• Formula: C77 H76 B2 Cu3 Fe2 N24 O19
• Calculated formula: C77 H76 B2 Cu3 Fe2 N24 O19
• Title of publication: Heterometallic Complexes Based on the Mixed Bridging Ligands of Tricyanometalate and Terephthalate: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Xiao-Ming Li; Cai-Feng Wang; Yong Ji; Ling-Chen Kang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9166 - 9173
• a: 34.693 ± 0.005 Å
• b: 39.556 ± 0.005 Å
• c: 7.6751 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10533 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No