Information card for entry 7012850

Structure parameters

• Formula: C12 H19 Cl2 O5 P Si2 W
• Calculated formula: C12 H19 Cl2 O5 P Si2 W
• SMILES: [W]([P](C([Si](C)(C)C)[Si](C)(C)C)(Cl)Cl)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: An unconventional route to [(Me3Si)2HCPCl2W(CO)5] and its conversion to the structurally characterized P-chalcogenides (Me3Si)2HCP(X)Cl2 [X = S, Se]
• Authors of publication: Khan, Arif Ali; Wismach, Cathleen; Jones, Peter G.; Streubel, Rainer
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2483
• a: 14.8271 ± 0.0008 Å
• b: 9.6096 ± 0.0006 Å
• c: 14.8458 ± 0.0008 Å
• α: 90°
• β: 100.063 ± 0.003°
• γ: 90°
• Cell volume: 2082.7 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No