Information card for entry 4084331

Structure parameters

• Formula: C10 H12 N2 O5 S W
• Calculated formula: C10 H12 N2 O5 S W
• SMILES: [W]([S]=C(N(C)C)N(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Characterization of Molybdenum(0) and Tungsten(0) Complexes of Tetramethylthiourea: Single-Source Precursors for MoS2and WS2
• Authors of publication: Shupp, John P.; Kinne, Adam S.; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5238
• a: 9.81 ± 0.005 Å
• b: 10.665 ± 0.004 Å
• c: 14.492 ± 0.007 Å
• α: 90°
• β: 109.96 ± 0.006°
• γ: 90°
• Cell volume: 1425.1 ± 1.1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No