Information card for entry 7024554

Structure parameters

• Formula: C17 H14 N4 Pt S
• Calculated formula: C17 H14 N4 Pt S
• SMILES: [Pt]12([N](=Nc3cccc[n]23)c2ccccc2)Sc2c(N1)cccc2
• 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: 6.8962 ± 0.0006 Å
• b: 22.833 ± 0.002 Å
• c: 10.0507 ± 0.0009 Å
• α: 90°
• β: 92.612 ± 0.004°
• γ: 90°
• Cell volume: 1580.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No