Information card for entry 4079264

Structure parameters

• Formula: C48 H41 N O2 P2 Ru
• Calculated formula: C48 H41 N O2 P2 Ru
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Oc2cccc3ccc([n]1c23)C)(C)C#[O]
• 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: 9.2381 ± 0.0003 Å
• b: 12.5884 ± 0.0004 Å
• c: 17.4284 ± 0.0005 Å
• α: 82.761 ± 0.002°
• β: 86.015 ± 0.003°
• γ: 74.412 ± 0.003°
• Cell volume: 1935.34 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No