Information card for entry 2232037

Structure parameters

• Common name: dichlorotricarbonyl[bis(4-methylthiazol-2-yl)methane]tungsten(II)
• Chemical name: [Bis(4-methyl-1,3-thiazol-2-yl- κ<i>N</i>)methane]tricarbonyldichloridotungsten(II)
• Formula: C12 H10 Cl2 N2 O3 S2 W
• Calculated formula: C12 H10 Cl2 N2 O3 S2 W
• SMILES: [W]1(Cl)([n]2c(scc2C)Cc2scc([n]12)C)(C#[O])(Cl)(C#[O])C#[O]
• Title of publication: [Bis(4-methyl-1,3-thiazol-2-yl-κ<i>N</i>)methane]tricarbonyldichloridotungsten(II)
• Authors of publication: Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1460
• a: 8.6876 ± 0.0017 Å
• b: 12.912 ± 0.002 Å
• c: 14.851 ± 0.003 Å
• α: 90°
• β: 105.55 ± 0.003°
• γ: 90°
• Cell volume: 1604.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes