Information card for entry 4117397

Structure parameters

• Formula: C20 H23 Cl Mo N2 O5 Si
• Calculated formula: C20 H23 Cl Mo N2 O5 Si
• SMILES: [Mo]([Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)Cl)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals
• Authors of publication: Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2423 - 2428
• a: 9.791 ± 0.002 Å
• b: 13.307 ± 0.002 Å
• c: 18.432 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2401.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No