Information card for entry 7120460

Structure parameters

• Formula: C14 H31 Co F12 N5 P2
• Calculated formula: C13.25 H31 Co F12 N4.25 P2
• Title of publication: Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II) complexes
• Authors of publication: Cui, Hui-Hui; Wang, Jing; Chen, Xue-tai; Xue, Zi-Ling
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.1662 ± 0.0008 Å
• b: 9.1662 ± 0.0008 Å
• c: 14.722 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1236.9 ± 0.2 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 6
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No