Information card for entry 7712872

Structure parameters

• Formula: C26 H16 Cl2 N2 Pt S2
• Calculated formula: C26 H16 Cl2 N2 Pt S2
• SMILES: [Pt]12(Cl)(Cl)([n]3c4ccccc4sc3c3c1cccc3)[n]1c(sc3ccccc13)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: 12.5836 ± 0.0006 Å
• b: 14.5133 ± 0.0007 Å
• c: 24.974 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4561 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No