Information card for entry 4077899

Structure parameters

• Formula: C22 H12 O10 P2 W2
• Calculated formula: C22 H12 O10 P2 W2
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[PH](c1ccccc1)[PH]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1ccccc1
• Title of publication: Reaction of Terminal Phosphinidene Complexes with Dihydrogen
• Authors of publication: Duffy, Matthew P.; Ting, Liow Yu; Nicholls, Leo; Li, Yongxin; Ganguly, Rakesh; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2936
• a: 9.863 ± 0.0005 Å
• b: 13.6016 ± 0.0007 Å
• c: 18.8836 ± 0.001 Å
• α: 90°
• β: 93.97 ± 0.003°
• γ: 90°
• Cell volume: 2527.2 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No