Information card for entry 4084330

Structure parameters

• Formula: C14 H24 Mo N4 O4 S2
• Calculated formula: C14 H24 Mo N4 O4 S2
• SMILES: [Mo]([S]=C(N(C)C)N(C)C)([S]=C(N(C)C)N(C)C)(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: 9.7415 ± 0.0007 Å
• b: 9.8755 ± 0.0008 Å
• c: 13.2893 ± 0.0016 Å
• α: 68.701 ± 0.011°
• β: 73.511 ± 0.013°
• γ: 60.651 ± 0.012°
• Cell volume: 1029.4 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No