Information card for entry 7710282

Structure parameters

• Formula: C45 H49 Cl Fe N2
• Calculated formula: C45 H49 Cl Fe N2
• Title of publication: Slow magnetic relaxation in a trigonal-planar mononuclear Fe(ii) complex
• Authors of publication: Li, Yuzhu; Xi, Jing; Ferrando-Soria, Jesús; Zhang, Yi-Quan; Wang, Wenyuan; Song, You; Guo, Yan; Pardo, Emilio; Liu, Xiangyu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.3687 ± 0.0007 Å
• b: 22.9892 ± 0.001 Å
• c: 13.9721 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3972.9 ± 0.3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No