Information card for entry 1559907

Structure parameters

• Formula: C12 H22 B Fe N
• Calculated formula: C12 H22 B Fe N
• 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: 12.5601 ± 0.0003 Å
• b: 7.39591 ± 0.0002 Å
• c: 14.8102 ± 0.0004 Å
• α: 90°
• β: 98.207 ± 0.003°
• γ: 90°
• Cell volume: 1361.68 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No