Information card for entry 7042349

Structure parameters

• Formula: C38 H31 Cl N O3 P Pt S
• Calculated formula: C38 H31 Cl N O3 P Pt S
• SMILES: c12[Pt]([n]3c(c2c2c(cc1)c1c(cccc1)S2)cccc3)([P](c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC)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: 14.9248 ± 0.0019 Å
• b: 19.983 ± 0.003 Å
• c: 21.437 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6393.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No