Information card for entry 7033964

Structure parameters

• Common name: corpyPtdpm
• Formula: C36 H31 N O2 Pt
• Calculated formula: C36 H31 N O2 Pt
• SMILES: [Pt]12(c3c(c4ccc5ccc6c7c8c(c4c57)c3ccc8cc6)c3cccc[n]23)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and characterization of phosphorescent platinum and iridium complexes with cyclometalated corannulene.
• Authors of publication: Facendola, John W.; Seifrid, Martin; Siegel, Jay; Djurovich, Peter I.; Thompson, Mark E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8456 - 8466
• a: 30.657 ± 0.008 Å
• b: 13.857 ± 0.004 Å
• c: 12.973 ± 0.004 Å
• α: 90°
• β: 96.337 ± 0.004°
• γ: 90°
• Cell volume: 5477 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No