Information card for entry 4064818

Structure parameters

• Common name: Pt(dippe)(CH=COMe-CH=CH-S)
• Formula: C19 H38 O P2 Pt S
• Calculated formula: C19 H38 O P2 Pt S
• SMILES: [Pt]12(SC=C(C=C2)OC)[P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study
• Authors of publication: Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4578
• a: 10.6575 ± 0.0013 Å
• b: 14.0741 ± 0.0017 Å
• c: 15.3785 ± 0.0018 Å
• α: 90°
• β: 101.688 ± 0.002°
• γ: 90°
• Cell volume: 2258.9 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0431
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No