Information card for entry 4105742

Structure parameters

• Formula: C48 H58 B Co F6 Fe N13 O2 P
• Calculated formula: C48 H58 B Co F6 Fe N13 O2 P
• Title of publication: Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli
• Authors of publication: Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3592 - 3600
• a: 12.415 ± 0.004 Å
• b: 14.797 ± 0.005 Å
• c: 17.908 ± 0.006 Å
• α: 113.658 ± 0.005°
• β: 97.462 ± 0.006°
• γ: 105.884 ± 0.005°
• Cell volume: 2788.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No