Information card for entry 4063486

Structure parameters

• Formula: C25 H31 Al Cl4 Fe N O2 P Si
• Calculated formula: C25 H31 Al Cl4 Fe N O2 P Si
• SMILES: C(#[O])[Fe]1234(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[PH](N(C(C)C)C(C)C)[SiH](c1ccccc1)c1ccccc1.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Si‒H Bond Activation by Electrophilic Phosphinidene Complexes
• Authors of publication: Vaheesar, Kandasamy; Bolton, Timothy M.; East, Allan L. L.; Sterenberg, Brian T.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 484 - 490
• a: 24.434 ± 0.003 Å
• b: 10.1909 ± 0.0011 Å
• c: 12.7949 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3186 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No