Information card for entry 4333028

Structure parameters

• Formula: C20 H22 N2 O Pt
• Calculated formula: C20 H22 N2 O Pt
• SMILES: [Pt]12([n]3cccc4c(cc(c(O1)c34)C)C)[N](Cc1c2cccc1)(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: 9.0504 ± 0.0009 Å
• b: 9.3633 ± 0.0009 Å
• c: 11.0494 ± 0.0011 Å
• α: 99.431 ± 0.002°
• β: 96.608 ± 0.002°
• γ: 109.814 ± 0.002°
• Cell volume: 854.19 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No