Information card for entry 4303223

Structure parameters

• Formula: C70 H78 B2 Cu2 Fe2 N22 O9
• Calculated formula: C70 H78 B2 Cu2 Fe2 N22 O9
• 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: 9.569 ± 0.002 Å
• b: 12.246 ± 0.003 Å
• c: 16.744 ± 0.004 Å
• α: 98.49 ± 0.004°
• β: 92.007 ± 0.004°
• γ: 110.561 ± 0.004°
• Cell volume: 1809 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No