Information card for entry 7051245

Structure parameters

• Formula: C18 H23 Cl5 N2 O P Pt S2
• Calculated formula: C18 H23 Cl5 N2 O P Pt S2
• SMILES: [Pt]1(SC(=N\C)/N([P]1(c1ccccc1)c1ccccc1)C)(Cl)Cl.C(Cl)(Cl)Cl.S(=O)(C)C
• Title of publication: Phosphino-urea chemistry: preparation and structure of chelate and P‒N bond cleavage complexes
• Authors of publication: Slawin, Alexandra M. Z.; Wainwright, Matthew; Derek Woollins, J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 69
• a: 11.4044 ± 0.0005 Å
• b: 11.5628 ± 0.0005 Å
• c: 11.9275 ± 0.0005 Å
• α: 69.23°
• β: 71.929 ± 0.001°
• γ: 74.871 ± 0.001°
• Cell volume: 1377.76 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.3141
• Weighted residual factors for significantly intense reflections: 0.1149
• Goodness-of-fit parameter for all reflections: 0.622
• Goodness-of-fit parameter for significantly intense reflections: 0.654
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No