Information card for entry 4124833

Structure parameters

• Chemical name: bromine-(dimethylsufide)-(C,N-(3-methyl-2-((methylimino)methyl)phenyl)platinum
• Formula: C11 H16 Br N Pt S
• Calculated formula: C11 H16 Br N Pt S
• SMILES: Br[Pt]1(c2cccc(c2C=[N]1C)C)[S](C)C
• Title of publication: Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.
• Authors of publication: Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 51
• Pages of publication: 16004 - 16007
• a: 17.915 ± 0.003 Å
• b: 25.896 ± 0.005 Å
• c: 11.227 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5208.5 ± 1.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0106
• Residual factor for significantly intense reflections: 0.0104
• Weighted residual factors for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections included in the refinement: 0.0249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No