Information card for entry 7005213

Structure parameters

• Formula: C19 H23 Cl2 N O Pt S
• Calculated formula: C19 H23 Cl2 N O Pt S
• SMILES: [Pt]1([S](=O)(C)C)(Cl)[N](=Cc2c(cc(cc2C)C)C)Cc2ccc(cc12)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: 6.23 ± 0.003 Å
• b: 27.614 ± 0.009 Å
• c: 12.442 ± 0.003 Å
• α: 90°
• β: 96.6 ± 0.03°
• γ: 90°
• Cell volume: 2126.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.725
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No