Information card for entry 7716933

Structure parameters

• Formula: C50 H68 B Cl Co Fe N13 O8
• Calculated formula: C50 H67.9988 B Cl Co Fe N13 O8
• Title of publication: Four-Step Electron Transfer Coupled Spin Transition in a Cyano-bridged [Fe2Co2] Square Complex
• Authors of publication: Ikeda, Taisuke; Huang, Yubo; Wu, Shu-Qi; Zheng, Wen-Wei; Xu, Wen-Huang; Zhang, Xiaopeng; Ji, Tianchi; Uematsu, Mikoto; Kanegawa, Shinji; Su, Shengqun; Sato, Osamu
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 16.5955 ± 0.0004 Å
• b: 14.0531 ± 0.0003 Å
• c: 23.5734 ± 0.0006 Å
• α: 90°
• β: 98.168 ± 0.002°
• γ: 90°
• Cell volume: 5442 ± 0.2 ų
• Cell temperature: 100.04 ± 0.1 K
• Ambient diffraction temperature: 100.04 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No