Information card for entry 4064934

Structure parameters

• Formula: C27 H29 O6 P Si2 W
• Calculated formula: C27 H29 O6 P Si2 W
• SMILES: C1(=O)C(=C(c2ccccc2)[P]1(C([Si](C)(C)C)[Si](C)(C)C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1ccccc1
• Title of publication: First Examples of Spirooxaphosphirane Complexes
• Authors of publication: Pérez, Janaina Marinas; Klein, Melina; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5636
• a: 9.4702 ± 0.0004 Å
• b: 11.4948 ± 0.0005 Å
• c: 27.2741 ± 0.0012 Å
• α: 90°
• β: 97.782 ± 0.002°
• γ: 90°
• Cell volume: 2941.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No