Information card for entry 7032880

Structure parameters

• Formula: C26 H37 N O P2 Pt S
• Calculated formula: C26 H37 N O P2 Pt S
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(c1ccc2Sc3ccccc3C(=O)c2c1)C#N
• 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: 7.4046 ± 0.0005 Å
• b: 12.8787 ± 0.0009 Å
• c: 14.4893 ± 0.001 Å
• α: 83.228 ± 0.006°
• β: 78.081 ± 0.006°
• γ: 78.527 ± 0.005°
• Cell volume: 1320.66 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0791
• 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