Information card for entry 4065378

Structure parameters

• Common name: Pentacarbonyl-thioformamide-Molibdenum
• Formula: C8 H7 Mo N O5 S
• Calculated formula: C8 H7 Mo N O5 S
• SMILES: [Mo]([S]=CN(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Mo(CO)6-Catalyzed Reduction ofN,N-Dimethylthioformamide by Silanes, Germanes, and Stannanes (R3EH) To Produce Trimethylamine and Group 14 Thioethers (R3E‒S‒ER3)
• Authors of publication: Arias-Ugarte, Renzo; Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6506
• a: 10.6872 ± 0.0015 Å
• b: 12.8629 ± 0.0018 Å
• c: 9.7035 ± 0.0014 Å
• α: 90°
• β: 109.022 ± 0.007°
• γ: 90°
• Cell volume: 1261.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.394
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No