Information card for entry 7712873

Structure parameters

• Formula: C30 H16 F6 N2 O4 Pt S2
• Calculated formula: C30 H16 F6 N2 O4 Pt S2
• SMILES: [Pt]12(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)([n]3c(sc4c3cccc4)c3c1cccc3)[n]1c(sc3c1cccc3)c1c2cccc1
• Title of publication: Phosphorescent 2-phenylbenzothiazole Pt^IV bis-cyclometalated complexes with phenanthroline-based ligands.
• Authors of publication: Corral-Zorzano, Andrea; Gómez de Segura, David; Lalinde, Elena; Moreno, M. Teresa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 19.07 ± 0.004 Å
• b: 17.181 ± 0.004 Å
• c: 9.1111 ± 0.0019 Å
• α: 90°
• β: 91°
• γ: 90°
• Cell volume: 2984.7 ± 1.1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No