Information card for entry 4084329

Structure parameters

• Formula: C10 H12 Mo N2 O5 S
• Calculated formula: C10 H12 Mo N2 O5 S
• SMILES: [Mo]([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: 9.839 ± 0.001 Å
• b: 10.6384 ± 0.0005 Å
• c: 14.388 ± 0.001 Å
• α: 90°
• β: 109.66 ± 0.001°
• γ: 90°
• Cell volume: 1418.22 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No