Information card for entry 7708676

Structure parameters

• Formula: C33 H53 Fe P3 Si
• Calculated formula: C33 H53 Fe P3 Si
• SMILES: [FeH3]12([P](c3c([Si]2(c2ccccc2)c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)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: 11.0515 ± 0.0004 Å
• b: 17.3189 ± 0.0006 Å
• c: 19.6938 ± 0.0006 Å
• α: 69.372 ± 0.003°
• β: 87.284 ± 0.003°
• γ: 74.966 ± 0.003°
• Cell volume: 3402.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No