Information card for entry 4085760

Structure parameters

• Formula: C41 H61 Fe P Si
• Calculated formula: C41 H61 Fe P Si
• SMILES: [FeH2]1234([P](C)(C(C)C)C(C)C)([SiH2]c5c(cccc5c5c(cc(C)cc5C)C)c5c(cc(cc5C)C)C)[c]5([c]2([c]1([c]3([c]45C)C)C)C)C
• Title of publication: Silane‒Allyl Coupling Reactions of Cp*(iPr2MeP)Fe(η3-C3H5) and Synthetic Access to the Hydrido‒Dinitrogen Complex Cp*(iPr2MeP)FeH(N2)
• Authors of publication: Smith, Patrick W.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2134
• a: 8.8981 ± 0.0005 Å
• b: 11.8359 ± 0.0007 Å
• c: 18.8372 ± 0.0012 Å
• α: 72.175 ± 0.003°
• β: 82.686 ± 0.003°
• γ: 76.623 ± 0.003°
• Cell volume: 1833.98 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No