Information card for entry 7707647

Structure parameters

• Formula: C64 H83 B2 Fe3 N23 O4
• Calculated formula: C64 H83 B2 Fe3 N23 O4
• Title of publication: Spin and valence isomerism in cyanide-bridged {FeM^II} (M = Fe and Co) clusters.
• Authors of publication: Zhao, Xin-Hua; Shao, Dong; Chen, Jia-Tao; Liu, Min; Li, Tao; Yang, Jiong; Zhang, Yuan-Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 28
• Pages of publication: 9768 - 9774
• a: 23.217 ± 0.003 Å
• b: 22.152 ± 0.002 Å
• c: 15.8654 ± 0.0018 Å
• α: 90°
• β: 113.617 ± 0.004°
• γ: 90°
• Cell volume: 7476.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No