Information card for entry 7233785

Structure parameters

• Formula: C48 H40 F6 N6 O2 Os P2
• Calculated formula: C48 H40 F6 N6 O2 Os P2
• SMILES: [Os]1234([P](Cc5[n]4c(ccc5)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)n1nc(C(F)(F)F)cc1c1[n]2c(ccc1)c1n3nc(c1)C(F)(F)F.O=C(OCC)C
• Title of publication: Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication
• Authors of publication: Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 6269 - 6282
• a: 12.6562 ± 0.0006 Å
• b: 14.183 ± 0.0007 Å
• c: 14.3426 ± 0.0007 Å
• α: 67.874 ± 0.001°
• β: 82.5019 ± 0.0011°
• γ: 67.827 ± 0.001°
• Cell volume: 2208.37 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No