Information card for entry 4333027

Structure parameters

• Formula: C20 H14 N2 O Pt
• Calculated formula: C20 H14 N2 O Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1cccc3)[n]1cccc3cccc(O2)c13
• 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: 9.3802 ± 0.0014 Å
• b: 7.6678 ± 0.0012 Å
• c: 20.661 ± 0.003 Å
• α: 90°
• β: 90.746 ± 0.002°
• γ: 90°
• Cell volume: 1485.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No