Information card for entry 7708677

Structure parameters

• Formula: C28 H49 Fe N2 P3 Si
• Calculated formula: C28 H49 Fe N2 P3 Si
• SMILES: [FeH]12([P](c3c([Si]2(C)c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C)([P](C)(C)C)[N]#N
• 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: 13.4753 ± 0.0004 Å
• b: 17.1665 ± 0.0004 Å
• c: 13.9116 ± 0.0004 Å
• α: 90°
• β: 105.988 ± 0.002°
• γ: 90°
• Cell volume: 3093.61 ± 0.15 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0504
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No