Information card for entry 1559909

Structure parameters

• Formula: C81 H67 B2 F24 Fe N P2
• Calculated formula: C78 H57.4 B2 F24 Fe N P2
• Title of publication: Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
• Authors of publication: Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2885 - 2889
• a: 13.1206 ± 0.0002 Å
• b: 16.6063 ± 0.0002 Å
• c: 36.1078 ± 0.0005 Å
• α: 90°
• β: 93.609 ± 0.001°
• γ: 90°
• Cell volume: 7851.73 ± 0.19 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No