Information card for entry 4064817

Structure parameters

• Common name: Pt(dippe)(COMe=CH-CH=CH-S)
• Formula: C19 H38 O P2 Pt S
• Calculated formula: C19 H38 O P2 Pt S
• SMILES: [Pt]12(SC=CC=C2OC)[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: 29.216 ± 0.003 Å
• b: 30.589 ± 0.003 Å
• c: 10.1233 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9047.1 ± 1.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0898
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No