Information card for entry 4335310

Structure parameters

• Formula: C22 H17 N3 O2 Pt
• Calculated formula: C22 H17 N3 O2 Pt
• SMILES: [Pt]123c4c(Oc5c3c(Oc3cccc[n]13)ccc5)cccc4n1[n]2c(cc1C)C
• Title of publication: Cyclometalated Platinum Complexes with Luminescent Quantum Yields Approaching 100%
• Authors of publication: Eric Turner; Nathan Bakken; Jian Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7344 - 7351
• a: 15.13 ± 0.002 Å
• b: 14.199 ± 0.002 Å
• c: 18.764 ± 0.003 Å
• α: 90°
• β: 111.922 ± 0.002°
• γ: 90°
• Cell volume: 3739.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No