Information card for entry 7042353

Structure parameters

• Formula: C36 H27 Cl3 N O2 P Pt S
• Calculated formula: C36 H27 Cl3 N O2 P Pt S
• SMILES: c12[Pt]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)[n]3c(c2c2c(cc1)c1c(cccc1)S2(=O)=O)cccc3.C(Cl)Cl
• Title of publication: Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.
• Authors of publication: Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3895 - 3905
• a: 9.0984 ± 0.0005 Å
• b: 12.745 ± 0.0008 Å
• c: 14.8158 ± 0.0009 Å
• α: 73.077 ± 0.002°
• β: 86.803 ± 0.002°
• γ: 84.281 ± 0.002°
• Cell volume: 1634.8 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No