Information card for entry 4107607

Structure parameters

• Formula: C13 H27 Cl2 Fe P Si
• Calculated formula: C13 H27 Cl2 Fe P Si
• SMILES: [FeH2]1234([Si](Cl)(Cl)C)([P](C)(C(C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Cp(Pri2MeP)FeH2SiR3: Nonclassical Iron Silyl Dihydride
• Authors of publication: Dmitry V. Gutsulyak; Lyudmila G. Kuzmina; Judith A. K. Howard; Sergei F. Vyboishchikov; Georgii I. Nikonov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3732 - 3733
• a: 11.6589 ± 0.0003 Å
• b: 12.7671 ± 0.0003 Å
• c: 12.0791 ± 0.0004 Å
• α: 90°
• β: 94.963 ± 0.001°
• γ: 90°
• Cell volume: 1791.24 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.055
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No