Information card for entry 7024556

Structure parameters

• Formula: C20 H18 N4 Pt S
• Calculated formula: C20 H18 N4 Pt S
• SMILES: [N]1(=Nc2[n]([Pt]31N(c1c(cccc1)S3)CC=C)cccc2)c1ccccc1
• 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: 12.476 ± 0.003 Å
• b: 18.2405 ± 0.0014 Å
• c: 18.3912 ± 0.0014 Å
• α: 118.647 ± 0.001°
• β: 97.985 ± 0.001°
• γ: 93.079 ± 0.001°
• Cell volume: 3602.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No