Information card for entry 4132066

Structure parameters

• Formula: C29 H43 Fe N2 P Si
• Calculated formula: C29 H43 Fe N2 P Si
• SMILES: [Fe]1234([P](C)(C(C)C)C(C)C)([SiH](c5ccccc5)c5ccccc5)([N]#N)[c]5([c]1([c]2([c]3([c]45C)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: 10.3308 ± 0.0012 Å
• b: 10.7423 ± 0.0012 Å
• c: 13.3532 ± 0.0015 Å
• α: 77.326 ± 0.002°
• β: 83.547 ± 0.002°
• γ: 74.207 ± 0.002°
• Cell volume: 1389 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No