Information card for entry 7712874

Structure parameters

• Formula: C38 H24 F12 N4 P2 Pt S2
• Calculated formula: C38 H24 F12 N4 P2 Pt S2
• 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: 14.0515 ± 0.0015 Å
• b: 15.0725 ± 0.0015 Å
• c: 17.2359 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3650.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No