Information card for entry 7045667

Structure parameters

• Formula: C26 H39 Fe P3 Si
• Calculated formula: C26 H39 Fe P3 Si
• SMILES: [FeH]1([P](c2ccccc2)(c2c([Si]1(C)C)cccc2)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis of silyl iron hydride via Si-H activation and its dual catalytic application in the hydrosilylation of carbonyl compounds and dehydration of benzamides.
• Authors of publication: Ren, Shishuai; Xie, Shangqing; Zheng, Tingting; Wang, Yangyang; Xu, Shilu; Xue, Benjing; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4352 - 4359
• a: 10.5677 ± 0.0009 Å
• b: 17.7146 ± 0.0015 Å
• c: 15.1486 ± 0.0014 Å
• α: 90°
• β: 90.232 ± 0.002°
• γ: 90°
• Cell volume: 2835.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No