Information card for entry 4077901

Structure parameters

• Formula: C17 H13 N2 O5 P W
• Calculated formula: C17 H13 N2 O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[PH](Nc1ccccc1)Nc1ccccc1
• 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: 9.7581 ± 0.0002 Å
• b: 18.3584 ± 0.0003 Å
• c: 10.6825 ± 0.0002 Å
• α: 90°
• β: 105.725 ± 0.001°
• γ: 90°
• Cell volume: 1842.07 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No