Information card for entry 4132067

Structure parameters

• Formula: C41.01 H60.01 Fe P Si
• Calculated formula: C41 H60 Fe P Si
• Title of publication: Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.
• Authors of publication: Smith, Patrick W.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 11
• Pages of publication: 3880 - 3883
• a: 27.887 ± 0.003 Å
• b: 11.5982 ± 0.0013 Å
• c: 11.5654 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3740.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.1106
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No