Information card for entry 7112336

Structure parameters

• Formula: C82 H90 Cl4 N4 O3 Pt2
• Calculated formula: C82 H90 Cl4 N4 O3 Pt2
• SMILES: c12c3c(cccc3)O[Pt]45[n]2c(cc(c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1c5c(cc(c1)C(C)(C)C)c1[n]4cccc1.O.C(Cl)Cl
• Title of publication: Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability
• Authors of publication: Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 1497 - 1499
• a: 31.5586 ± 0.0014 Å
• b: 16.6386 ± 0.0008 Å
• c: 13.6571 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7171.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7108844
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No