Information card for entry 4333060

Structure parameters

• Formula: C48 H44 B2 Cu2 Fe2 N24 O8
• Calculated formula: C48 H44 B2 Cu2 Fe2 N24 O8
• Title of publication: Structural and Magnetic Studies on Cyano-Bridged Rectangular Fe2M2(M = Cu, Ni) Clusters
• Authors of publication: Liu, Wei; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10058 - 10065
• a: 14.449 ± 0.003 Å
• b: 20.996 ± 0.005 Å
• c: 21.485 ± 0.005 Å
• α: 90°
• β: 100.115 ± 0.004°
• γ: 90°
• Cell volume: 6417 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No