Information card for entry 4303221

Structure parameters

• Formula: C56 H62 B2 Cu2 Fe2 N22 O11
• Calculated formula: C56 H62 B2 Cu2 Fe2 N22 O11
• 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: 11.9584 ± 0.0016 Å
• b: 12.3382 ± 0.0017 Å
• c: 13.2513 ± 0.0018 Å
• α: 84.083 ± 0.003°
• β: 65.274 ± 0.002°
• γ: 69.814 ± 0.002°
• Cell volume: 1664.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No