Information card for entry 7042345

Structure parameters

• Formula: C24 H24 Cl3 N4 P Pt S
• Calculated formula: C24 H24 Cl3 N4 P Pt S
• SMILES: c12ccc3c(c1c1cccc[n]1[Pt]2([P]12CN4CN(C2)CN(C1)C4)Cl)Sc1c3cccc1.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: 22.8514 ± 0.0007 Å
• b: 72.36 ± 0.002 Å
• c: 5.8722 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9709.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No