Information card for entry 4333472

Structure parameters

• Formula: C38 H31 F6 N3 O3 Os P2
• Calculated formula: C38 H31 F6 N3 O3 Os P2
• SMILES: [Os]1([P](C)(c2ccccc2)c2ccccc2)([P](C)(c2ccccc2)c2ccccc2)(OC(=O)C(F)(F)F)([n]2ccccc2c2n1nc(c2)C(F)(F)F)C#[O]
• Title of publication: Strategic Design and Synthesis of Osmium(II) Complexes Bearing a Single Pyridyl Azolate π-Chromophore: Achieving High-Efficiency Blue Phosphorescence by Localized Excitation
• Authors of publication: Cheng, Yi-Ming; Li, Elise Y.; Lee, Gene-Hsiang; Chou, Pi-Tai; Lin, Sue-Yi; Shu, Ching-Fong; Hwang, Kwun-Chi; Chen, Yao-Lun; Song, Yi-Hwa; Chi, Yun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10276 - 10286
• a: 9.4227 ± 0.0007 Å
• b: 11.281 ± 0.0008 Å
• c: 17.8178 ± 0.0013 Å
• α: 77.385 ± 0.002°
• β: 84.591 ± 0.002°
• γ: 75.979 ± 0.002°
• Cell volume: 1791.5 ± 0.2 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: 0.0277
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No