Information card for entry 4068606

Structure parameters

• Formula: C11 H22 Br2 N2 O Pt S
• Calculated formula: C11 H22 Br2 N2 O Pt S
• SMILES: [Pt](Br)(Br)([S](=O)(C)C)=C1N(C=CN1CCC(C)C)C
• Title of publication: Novel Pt(II) Mono- and Biscarbene Complexes: Synthesis, Structural Characterization and Application in Hydrosilylation Catalysis
• Authors of publication: Hu, Jian Jin; Li, Fuwei; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1212
• a: 10.166 ± 0.003 Å
• b: 8.815 ± 0.002 Å
• c: 19.431 ± 0.005 Å
• α: 90°
• β: 91.427 ± 0.006°
• γ: 90°
• Cell volume: 1740.7 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No