Information card for entry 4318121

Structure parameters

• Formula: C173 H368 Cr12 I12 K N85 Ni12 O46
• Calculated formula: C172 H268 Cr12 I12.04 K N84 Ni12 O8
• Title of publication: Giant Metal-Cyanide Coordination Clusters: Tetracapped Edge-Bridged Cubic Cr12Ni12(CN)48 and Double Face-Centered Cubic Cr14Ni13(CN)48 Species
• Authors of publication: Jennifer J. Sokol; Matthew P. Shores; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3052 - 3054
• a: 24.249 ± 0.0015 Å
• b: 24.249 ± 0.0015 Å
• c: 31.304 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18407 ± 2 ų
• Cell temperature: 154 ± 2 K
• Ambient diffraction temperature: 154 ± 2 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections: 0.2988
• Weighted residual factors for significantly intense reflections: 0.2802
• Goodness-of-fit parameter for all reflections: 1.136
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No