Information card for entry 7708678

Structure parameters

• Formula: C30 H47 Fe P3 Si
• Calculated formula: C30 H47 Fe P3 Si
• SMILES: [FeH]1([P](c2c([Si]1(c1ccccc1)c1ccccc1)cccc2)(C(C)C)C(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen
• Authors of publication: Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.1689 ± 0.0002 Å
• b: 16.6564 ± 0.0003 Å
• c: 21.0278 ± 0.0005 Å
• α: 90°
• β: 101.511 ± 0.002°
• γ: 90°
• Cell volume: 3146.79 ± 0.12 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No