Information card for entry 4348231

Structure parameters

• Formula: C110 H148 B2 Co2 F12 Fe2 N26 O2 P2
• Calculated formula: C110 H148 B2 Co2 F12 Fe2 N26 O2 P2
• Title of publication: Investigation of the light-induced electron-transfer-coupled spin transition in a cyanide-bridged [Co2Fe2] complex by X-ray diffraction and absorption measurements
• Authors of publication: Sekine, Yoshihiro; Nihei, Masayuki; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Oshio, Hiroki
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 540
• a: 24.56 ± 0.03 Å
• b: 19.67 ± 0.02 Å
• c: 29.88 ± 0.04 Å
• α: 90°
• β: 114.159 ± 0.018°
• γ: 90°
• Cell volume: 13171 ± 3 ų
• Cell temperature: 24 ± 2 K
• Ambient diffraction temperature: 24 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2931
• Residual factor for significantly intense reflections: 0.1295
• Weighted residual factors for significantly intense reflections: 0.3066
• Weighted residual factors for all reflections included in the refinement: 0.3882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No