Information card for entry 4318120

Structure parameters

• Formula: C174 H434 Cr14 I20 N90 Ni13 O70
• Calculated formula: C174 H294 Cr14 I12.8 N90 Ni13 O36.98
• 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: 23.2283 ± 0.0009 Å
• b: 34.683 ± 0.002 Å
• c: 46.9 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37784 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2308
• Residual factor for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections: 0.4801
• Weighted residual factors for significantly intense reflections: 0.4228
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No