Information card for entry 7042348

Structure parameters

• Formula: C19 H16 Cl N O Pt S2
• Calculated formula: C19 H16 Cl N O Pt S2
• SMILES: c12ccc3c(c1c1cccc[n]1[Pt]2([S](C)(C)=O)Cl)sc1c3cccc1
• 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: 14.1551 ± 0.0003 Å
• b: 12.8383 ± 0.0003 Å
• c: 10.3284 ± 0.0002 Å
• α: 90°
• β: 110.264 ± 0.001°
• γ: 90°
• Cell volume: 1760.78 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0182
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No