Information card for entry 7703305

Structure parameters

• Formula: C21 H19 N Pt S
• Calculated formula: C21 H19 N Pt S
• Title of publication: Discovery and mechanistic investigation of Pt-catalyzed oxidative homocoupling of benzene with PhI(OAc)₂.
• Authors of publication: Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Park, Chan; Wu, Guang; Abu-Omar, Mahdi M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2477 - 2486
• a: 8.344 ± 0.002 Å
• b: 9.615 ± 0.003 Å
• c: 11.712 ± 0.003 Å
• α: 68.384 ± 0.007°
• β: 78.578 ± 0.009°
• γ: 88.123 ± 0.008°
• Cell volume: 855.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No