Information card for entry 4331064

Structure parameters

• Formula: C31 H21 O6 P W
• Calculated formula: C31 H21 O6 P W
• SMILES: C1(c2ccccc2)O[P]1(C(c1ccccc1)(c1ccccc1)c1ccccc1)[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: 18.6553 ± 0.0006 Å
• b: 9.4464 ± 0.0003 Å
• c: 16.6844 ± 0.0005 Å
• α: 90°
• β: 113.335 ± 0.001°
• γ: 90°
• Cell volume: 2699.72 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No