Information card for entry 7032879

Structure parameters

• Formula: C25 H37 Cl O P2 Pt S
• Calculated formula: C25 H37 Cl O P2 Pt S
• SMILES: c1(ccc2c(C(=O)c3c(cccc3)S2)c1)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Cl
• Title of publication: Dual ligand-based fluorescence and phosphorescence emission at room temperature from platinum thioxanthonyl complexes.
• Authors of publication: Geist, Fabian; Jackel, Andrej; Winter, Rainer F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 3974 - 3987
• a: 14.9686 ± 0.0007 Å
• b: 13.8792 ± 0.0008 Å
• c: 14.7047 ± 0.0007 Å
• α: 90°
• β: 118.759 ± 0.003°
• γ: 90°
• Cell volume: 2678.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No