Information card for entry 4082621

Structure parameters

• Formula: C20 H24 Br2 N2 Pt S
• Calculated formula: C20 H24 Br2 N2 Pt S
• SMILES: [Pt]1(Br)(Br)[S](CCCN2C=1N(c1ccccc21)Cc1ccccc1)C(C)C
• Title of publication: Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions
• Authors of publication: Bernhammer, Jan C.; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 172
• a: 11.0917 ± 0.0015 Å
• b: 16.445 ± 0.002 Å
• c: 11.7723 ± 0.0016 Å
• α: 90°
• β: 93.702 ± 0.003°
• γ: 90°
• Cell volume: 2142.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No