Information card for entry 4302277

Structure parameters

• Formula: C144 H136 B6 Cu2 Fe6 N54 Na2 O20
• Calculated formula: C144 H136 B6 Cu2 Fe6 N54 Na2 O20
• Title of publication: A Family of Polynuclear Clusters Containing Cyano-Bridged T-Shaped Fe^III^~3~M^II^ (M = Cu, Co, Mn) Metal Cores: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Gu, Zhi-Guo; Xu, Yi-Fan; Kang, Ling-Chen; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5073 - 5080
• a: 14.0796 ± 0.0014 Å
• b: 26.05 ± 0.003 Å
• c: 27.0395 ± 0.0019 Å
• α: 90°
• β: 120.67 ± 0.004°
• γ: 90°
• Cell volume: 8530.1 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338581
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No