Information card for entry 4350811

Structure parameters

• Chemical name: Dibromo-tricarbonyl-(1,4,6-trimethylpyrimidine-2-thione-κN^3^,κS)- tungsten(II) acetone solvate
• Formula: C13 H16 Br2 N2 O4 S W
• Calculated formula: C10 H10 Br2 N2 O3 S W
• Title of publication: Synthesis, structure and properties of the mixed-ligand tungsten(II) complex [WBr2(CO)3(tmpymt)] (tmpymt = 1,4,6-trimethylpyrimidine-2-thione)
• Authors of publication: Falcomer, Viviane A.S.; Lemos, Sebastião S.; Politi, José R.S.; Casagrande, Gleison A.; Lang, Ernesto S.; Burrow, Robert A.
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2009
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 580 - 582
• a: 21.7064 ± 0.0007 Å
• b: 21.7064 ± 0.0007 Å
• c: 7.3386 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3457.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No