Information card for entry 4333026

Structure parameters

• Formula: C20 H16 N2 O Pt S
• Calculated formula: C20 H16 N2 O Pt S
• SMILES: [Pt]12(c3ccsc3c3[n]1cccc3)[n]1cccc3c(cc(c(O2)c13)C)C
• Title of publication: Deep-Red Luminescence and Efficient Singlet Oxygen Generation by Cyclometalated Platinum(II) Complexes with 8-Hydroxyquinolines and Quinoline-8-thiol
• Authors of publication: Shavaleev, Nail M.; Adams, Harry; Best, Jonathan; Edge, Ruth; Navaratnam, Suppiah; Weinstein, Julia A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9410 - 9415
• a: 7.866 ± 0.006 Å
• b: 9.909 ± 0.007 Å
• c: 11.743 ± 0.008 Å
• α: 65.319 ± 0.01°
• β: 89.036 ± 0.011°
• γ: 81.856 ± 0.011°
• Cell volume: 822.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No