Information card for entry 1559911

Structure parameters

• Formula: C28 H33 B Fe N P
• Calculated formula: C28 H33 B Fe N P
• SMILES: [BH2]1[NH]2c3c([P](c4ccccc4)(c4ccccc4)[Fe]45672([c]2([c]4([c]7([c]6([c]52C)C)C)C)C)[H]1)cccc3
• 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: 10.668 ± 0.004 Å
• b: 10.792 ± 0.004 Å
• c: 21.922 ± 0.008 Å
• α: 90°
• β: 92.119 ± 0.003°
• γ: 90°
• Cell volume: 2522.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0753
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No