Information card for entry 4080055

Structure parameters

• Formula: C37 H25 Al Cl4 O5 P2 W
• Calculated formula: C37 H25 Al Cl4 O5 P2 W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=C1c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Facile Phosphorus‒Carbon Bond Formation using a Tungsten-Coordinated Phosphirenyl Cation
• Authors of publication: Jayaraman, Arumugam; Sterenberg, Brian T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 745
• a: 11.6189 ± 0.001 Å
• b: 11.6227 ± 0.001 Å
• c: 16.3982 ± 0.0014 Å
• α: 93.0368 ± 0.0008°
• β: 102.065 ± 0.0009°
• γ: 117.997 ± 0.0008°
• Cell volume: 1882.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No