Information card for entry 7110522

Structure parameters

• Formula: C28 H28 Cl2 N4 Pt S2
• Calculated formula: C28 H28 Cl2 N4 Pt S2
• SMILES: [Pt]1(Cl)([S](c2ccccc2)(=NC(C)=[NH]1)c1ccccc1)[NH]=S(c1ccccc1)c1ccccc1.[Cl-].N#CC
• Title of publication: Formation of the bidentate [Ph2SNC(Me)N(H)] ligand by metal-assisted sulfimide addition to acetonitrile; X-ray crystal structure of [Pt(Ph2SNH)(Ph2SNC(Me)NH)Cl]Cl·MeCN
• Authors of publication: Kelly, Paul F.; Slawin, Alexandra M. Z.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1081
• a: 13.2226 ± 0.0002 Å
• b: 10.9412 ± 0.0002 Å
• c: 20.9116 ± 0.0003 Å
• α: 90°
• β: 100.302 ± 0.001°
• γ: 90°
• Cell volume: 2976.53 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0486
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No