Information card for entry 7109982

Structure parameters

• Chemical name: TIDSPtPPh32
• Formula: C62 H51 N O2 P2 Pt S2
• Calculated formula: C62 H51 N O2 P2 Pt S2
• SMILES: c12c3ccccc3c3c4c(c5ccccc5c(c14)S[Pt](S2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C3=O)CCCCCC
• Title of publication: Synthesis, photophysical properties, and excited state dynamics of a platinum complex of tetracene imide disulfide
• Authors of publication: Takafumi Nakagawa; Tsuyoshi Suzuki; Matthias Konig; Dirk M. Guldi; Yutaka Matsu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10394
• a: 13.6201 ± 0.0003 Å
• b: 13.7861 ± 0.0003 Å
• c: 13.8277 ± 0.0003 Å
• α: 85.265 ± 0.002°
• β: 79.447 ± 0.002°
• γ: 78.335 ± 0.001°
• Cell volume: 2496.97 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No