Information card for entry 4305197

Structure parameters

• Formula: C128 H192 B8 Fe8 N72 O18
• Calculated formula: C128 H184 B8 Fe8 N72 O18
• Title of publication: Cyanide-Bridged Iron(II,III) Cube with Multistepped Redox Behavior
• Authors of publication: Masayuki Nihei; Mayumi Ui; Norihisa Hoshino; Hiroki Oshio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6106 - 6108
• a: 17.983 ± 0.004 Å
• b: 32.249 ± 0.007 Å
• c: 17.424 ± 0.004 Å
• α: 90°
• β: 109.347 ± 0.004°
• γ: 90°
• Cell volume: 9534 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No