Information card for entry 7708137

Structure parameters

• Formula: C30 H21 Br4 Co F2 N3 O2
• Calculated formula: C30 H21 Br4 Co F2 N3 O2
• Title of publication: Influence of F-position and solvent on coordination geometry and single ion magnet behavior of Co(II) complexes
• Authors of publication: Chen, Yue; Yang, Qi; Peng, Guo; Zhang, Yi-Quan; Ren, Xiaoming
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.0772 ± 0.0015 Å
• b: 20.24 ± 0.004 Å
• c: 18.53 ± 0.003 Å
• α: 90°
• β: 90.889 ± 0.002°
• γ: 90°
• Cell volume: 3029 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No