Information card for entry 4331063

Structure parameters

• Formula: C24 H15 Cl2 O5 P W
• Calculated formula: C24 H15 Cl2 O5 P W
• SMILES: C(c1ccccc1)(c1ccccc1)(c1ccccc1)[P](Cl)(Cl)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Reactions of the First Room Temperature Stable Li/Cl Phosphinidenoid Complex
• Authors of publication: Vitaly Nesterov; Gregor Schnakenburg; Arturo Espinosa; Rainer Streubel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12343 - 12349
• a: 7.7071 ± 0.0002 Å
• b: 9.4151 ± 0.0002 Å
• c: 32.6342 ± 0.0005 Å
• α: 90°
• β: 94.84 ± 0.02°
• γ: 90°
• Cell volume: 2359.6 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.022
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No