Information card for entry 4063487

Structure parameters

• Formula: C19 H25 Al Cl4 Fe2 N O3 P
• Calculated formula: C19 H25 Al Cl4 Fe2 N O3 P
• SMILES: [Fe]123456([Fe]789%10([PH]1N(C(C)C)C(C)C)(C#[O])(C2=O)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31.[Cl-][Al](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: 10.3218 ± 0.0016 Å
• b: 12.557 ± 0.002 Å
• c: 10.3342 ± 0.0016 Å
• α: 90°
• β: 98.259 ± 0.002°
• γ: 90°
• Cell volume: 1325.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No