Information card for entry 7703400

Structure parameters

• Formula: C31 H31 B2 Co F8 N7 O0
• Calculated formula: C31 H31 B2 Co F8 N7
• Title of publication: A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets.
• Authors of publication: Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2063 - 2067
• a: 11.207 ± 0.0003 Å
• b: 12.5604 ± 0.0004 Å
• c: 13.5908 ± 0.0004 Å
• α: 71.015 ± 0.002°
• β: 67.784 ± 0.002°
• γ: 70.936 ± 0.002°
• Cell volume: 1628.81 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No