Information card for entry 4064813

Structure parameters

• Common name: Pt(dippe)(CH=CCN-CH=CH-S)
• Formula: C19 H35 N P2 Pt S
• Calculated formula: C19 H35 N P2 Pt S
• SMILES: [Pt]12(C=C(C=CS2)C#N)[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: 18.243 ± 0.004 Å
• b: 28.24 ± 0.005 Å
• c: 13.922 ± 0.003 Å
• α: 90°
• β: 110.23 ± 0.003°
• γ: 90°
• Cell volume: 6730 ± 2 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: 0.1425
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No