Information card for entry 7005809

Structure parameters

• Formula: C13 H13 Cl F N O Pt S
• Calculated formula: C13 H13 Cl F N O Pt S
• SMILES: c1cccc2c3c([Pt]([n]12)([S](=O)(C)C)Cl)cc(cc3)F
• Title of publication: Cyclometallated platinum(II) complexes: oxidation to, and C-H activation by, platinum(IV).
• Authors of publication: Newman, Christopher P.; Casey-Green, Katherine; Clarkson, Guy J.; Cave, Gareth W. V.; Errington, W.; Rourke, Jonathan P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 29
• Pages of publication: 3170 - 3182
• a: 11.1323 ± 0.0012 Å
• b: 7.0613 ± 0.0019 Å
• c: 17.8 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.2 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No