Information card for entry 7024555

Structure parameters

• Formula: C24 H20 N4 Pt S
• Calculated formula: C24 H20 N4 Pt S
• SMILES: [Pt]12(N(Cc3ccccc3)c3ccccc3S1)[n]1c(N=[N]2c2ccccc2)cccc1
• 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: 11.4495 ± 0.0008 Å
• b: 19.892 ± 0.0013 Å
• c: 27.4519 ± 0.0019 Å
• α: 90°
• β: 98.806 ± 0.002°
• γ: 90°
• Cell volume: 6178.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No