Information card for entry 7024557

Structure parameters

• Formula: C18 H16 F3 N3 O4 Pt S2
• Calculated formula: C18 H16 F3 N3 O3.5 Pt S2
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)cccc3)[S](c1c(N2)cccc1)C.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: 1,4-Alkyl migration associated with simultaneous S-C bond cleavage and N-C bond formation in platinum complexes of 2-aminothioethers. Characterization of intramolecular interligand charge transfer phenomenon.
• Authors of publication: Mandal, Sutanuva; Paul, Nandadulal; Banerjee, Priyabrata; Mondal, Tapan K.; Goswami, Sreebrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2717 - 2726
• a: 9.2882 ± 0.0003 Å
• b: 20.417 ± 0.0005 Å
• c: 21.1399 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4008.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No