Information card for entry 7005212

Structure parameters

• Formula: C16 H16 Cl3 N O Pt S
• Calculated formula: C16 H16 Cl3 N O Pt S
• SMILES: [Pt]1(c2cc(Cl)ccc2C=[N]1Cc1ccc(Cl)cc1)([S](=O)(C)C)Cl
• Title of publication: A comparative study of the structures and reactivity of cyclometallated platinum compounds of N-benzylidenebenzylamines and cycloplatination of a primary amine.
• Authors of publication: Capapé, Alejandro; Crespo, Margarita; Granell, Jaume; Font-Bardía, Mercè; Solans, Xavier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2030 - 2039
• a: 16.222 ± 0.008 Å
• b: 13.12 ± 0.006 Å
• c: 10.932 ± 0.009 Å
• α: 90°
• β: 127.88 ± 0.06°
• γ: 90°
• Cell volume: 1836 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No