Information card for entry 7709089

Structure parameters

• Chemical name: ClO4-380
• Formula: C24 H18 Cl2 Fe N10 O10
• Calculated formula: C24 H18 Cl2 Fe N10 O10
• Title of publication: Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand
• Authors of publication: Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.6559 ± 0.0014 Å
• b: 9.033 ± 0.0007 Å
• c: 17.5417 ± 0.0014 Å
• α: 90°
• β: 92.311 ± 0.002°
• γ: 90°
• Cell volume: 2953.7 ± 0.4 ų
• Cell temperature: 380 K
• Ambient diffraction temperature: 380 K
• Number of distinct elements: 6
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No