Information card for entry 7048131

Structure parameters

• Formula: C75 H64 B2 Fe N6
• Calculated formula: C75 H64 B2 Fe N6
• Title of publication: Spin switching in tris(8-aminoquinoline)iron(ii)(BPh₄)₂: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.
• Authors of publication: Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 231 - 241
• a: 12.2941 ± 0.0004 Å
• b: 33.9568 ± 0.0011 Å
• c: 19.028 ± 0.0008 Å
• α: 90°
• β: 129.852 ± 0.003°
• γ: 90°
• Cell volume: 6098.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• 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: 0.1332
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No