Information card for entry 7042352

Structure parameters

• Formula: C59 H30 B F24 N3 Pt S
• Calculated formula: C59 H30 B F24 N3 Pt S
• 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: 18.0471 ± 0.0004 Å
• b: 9.7853 ± 0.0002 Å
• c: 31.2267 ± 0.0007 Å
• α: 90°
• β: 104.75 ± 0.001°
• γ: 90°
• Cell volume: 5332.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No