Information card for entry 4082619

Structure parameters

• Formula: C16 H24 Br2 N2 Pt S
• Calculated formula: C16 H24 Br2 N2 Pt S
• SMILES: [Pt]1(Br)(Br)[S](CCN2C=1N(c1ccccc21)CC(C)C)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: 10.0593 ± 0.0005 Å
• b: 13.9747 ± 0.0007 Å
• c: 14.2926 ± 0.0008 Å
• α: 90°
• β: 110.141 ± 0.001°
• γ: 90°
• Cell volume: 1886.33 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No