Information card for entry 4109045

Structure parameters

• Formula: C78 H230 Cu17 Mn28 N12 O128
• Calculated formula: C78 H229.92 Cu17 Mn28 N12 O128
• Title of publication: Giant Heterometallic Cu17Mn28 Cluster with Td Symmetry and High-Spin Ground State
• Authors of publication: Wen-Guo Wang; Ai-Ju Zhou; Wei-Xiong Zhang; Ming-Liang Tong; Xiao-Ming Chen; Motohiro Nakano; Christopher C. Beedle; David N. Hendrickson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1014 - 1015
• a: 20.3441 ± 0.0009 Å
• b: 20.3441 ± 0.0009 Å
• c: 20.3441 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8420.1 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No