Information card for entry 7704679

Structure parameters

• Formula: C48 H52 Fe P4 Si
• Calculated formula: C48 H52 Fe P4 Si
• Title of publication: Pyridine N-oxide promoted hydrosilylation of carbonyl compounds catalyzed by [PSiP]-pincer iron hydrides.
• Authors of publication: Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 27
• Pages of publication: 9349 - 9354
• a: 18.4493 ± 0.0002 Å
• b: 21.2072 ± 0.0002 Å
• c: 10.7787 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4217.25 ± 0.13 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No