Information card for entry 4323960

Structure parameters

• Formula: C51.75 H42.5 N O4 P2 Pt S2 cl1.5
• Calculated formula: C51 H41 N O4 P2 Pt S2
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(S(=O)(=O)SCc1ccccc1)N1C(=O)c2ccccc2C1=O
• Title of publication: Modeling the Claus Reaction: Preparation of trans-Pt(PPh3)2(phthalimido)S(O)2SR
• Authors of publication: Alan Shaver; Hélène Boily; Anne-Marie Lebuis
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6356 - 6357
• a: 21.212 ± 0.004 Å
• b: 13.996 ± 0.002 Å
• c: 17.789 ± 0.003 Å
• α: 90°
• β: 112.79 ± 0.013°
• γ: 90°
• Cell volume: 4869 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1333
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.1075
• Goodness-of-fit parameter for all reflections: 0.887
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Molybdemunkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No