Information card for entry 4343139

Structure parameters

• Formula: C40 H34 Cl2 F6 N6 Pt
• Calculated formula: C40 H34 Cl2 F6 N6 Pt
• SMILES: [Pt]123[n]4c(cccc4c4n1nc(c4)C(F)(F)F)C1(c4cccc([n]24)c2n3nc(c2)C(F)(F)F)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Pt(II) Metal Complexes Tailored with a Newly Designed Spiro-Arranged Tetradentate Ligand; Harnessing of Charge-Transfer Phosphorescence and Fabrication of Sky Blue and White OLEDs.
• Authors of publication: Liao, Kuan-Yu; Hsu, Che-Wei; Chi, Yun; Hsu, Ming-Kuan; Wu, Szu-Wei; Chang, Chih-Hao; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Hu, Yue; Robertson, Neil
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4029 - 4038
• a: 11.2393 ± 0.0005 Å
• b: 21.056 ± 0.0011 Å
• c: 16.0806 ± 0.0008 Å
• α: 90°
• β: 92.101 ± 0.001°
• γ: 90°
• Cell volume: 3803 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No