Information card for entry 4331062

Structure parameters

• Formula: C25 H15 Cl2 O6 P W
• Calculated formula: C25 H15 Cl2 O6 P W
• SMILES: C(=O)(Cl)[P](C(c1ccccc1)(c1ccccc1)c1ccccc1)(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: 10.0399 ± 0.0004 Å
• b: 10.6514 ± 0.0005 Å
• c: 12.3702 ± 0.0004 Å
• α: 96.509 ± 0.002°
• β: 90.741 ± 0.002°
• γ: 104.582 ± 0.002°
• Cell volume: 1270.81 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No