Information card for entry 4079266

Structure parameters

• Formula: C43 H45 F6 N3 O2 P2 Ru
• Calculated formula: C43 H45 F6 N3 O2 P2 Ru
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Oc2cccc3ccc([n]1c23)C)(C#[O])(C#[N]C1CCCCC1)C#[N]C1CCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structures, and Photophysical Properties of Ruthenium(II) Quinolinolato Complexes
• Authors of publication: Xiang, Jing; Lo, Larry Tso-Lun; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Lau, Tai-Chu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7101
• a: 12.4298 ± 0.0003 Å
• b: 24.7828 ± 0.0006 Å
• c: 13.3653 ± 0.0003 Å
• α: 90°
• β: 94.183 ± 0.002°
• γ: 90°
• Cell volume: 4106.15 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No