Information card for entry 7711316

Structure parameters

• Formula: C86 H89 B2 Cl2 Co2 Fe2 N27 O13
• Calculated formula: C86 H89 B2 Cl2 Co2 Fe2 N27 O13
• Title of publication: Tuning the electron transfer events in a series of cyanide-bridged [Fe2Co2] squares according to different electron donors
• Authors of publication: Meng, Lingyi; Deng, Yi-Fei; Liu, Jianxun; Liu, Yan Jun; Zhang, Yuan-Zhu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.9683 ± 0.0009 Å
• b: 31.1073 ± 0.0017 Å
• c: 22.8137 ± 0.0013 Å
• α: 90°
• β: 99.024 ± 0.002°
• γ: 90°
• Cell volume: 9790.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.1382
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No