Information card for entry 4304713

Structure parameters

• Chemical name: compound 3
• Formula: C19 H35 N P2 Pt S
• Calculated formula: C19 H35 N P2 Pt S
• SMILES: [Pt]12(SC(=CC=C2)C#N)[P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C
• Title of publication: Understanding Selectivity in the Oxidative Addition of the Carbon-Sulfur Bonds of 2-Cyanothiophene to Pt(0)
• Authors of publication: Tülay A. Ateşin; Abdurrahman Ç. Ateşin; Karlyn Skugrud; William D. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4596 - 4604
• a: 18.7568 ± 0.0017 Å
• b: 13.659 ± 0.0013 Å
• c: 19.8091 ± 0.0018 Å
• α: 90°
• β: 116.325 ± 0.002°
• γ: 90°
• Cell volume: 4548.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No