Information card for entry 4069843

Structure parameters

• Formula: C28 H28 I O5 P Si2 W
• Calculated formula: C28 H28 I O5 P Si2 W
• SMILES: [W]([P](C(I)([Si](C)(C)C)[Si](C)(C)C)(C#Cc1ccccc1)C#Cc1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Investigations on the Reactivity of Li/Cl Phosphinidenoid Tungsten Complexes toward Various Iodine Compounds
• Authors of publication: Streubel, Rainer; Özbolat-Schön, Aysel; Bode, Maren; Daniels, Jörg; Schnakenburg, Gregor; Teixidor, Francesc; Vinas, Clara; Vaca, Albert; Pepiol, Ariadna; Farràs, Pau
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6031
• a: 12.4156 ± 0.0003 Å
• b: 14.4943 ± 0.0005 Å
• c: 17.6597 ± 0.0005 Å
• α: 90°
• β: 91.404 ± 0.002°
• γ: 90°
• Cell volume: 3177 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No