Information card for entry 4132068

Structure parameters

• Formula: C32 H57 Fe P Si
• Calculated formula: C32 H57 Fe P Si
• SMILES: [Fe]12345([H][SiH]1c1c(cc(cc1C(C)C)C(C)C)C(C)C)([P](C)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 12.1407 ± 0.0009 Å
• b: 10.2012 ± 0.0007 Å
• c: 26.3408 ± 0.0019 Å
• α: 90°
• β: 90.418 ± 0.005°
• γ: 90°
• Cell volume: 3262.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No