Information card for entry 7708288

Structure parameters

• Chemical name: D-Ru(acac)(trop)2
• Formula: C19 H17 O6 Ru
• Calculated formula: C19 H17 O6 Ru
• SMILES: [Ru]123(OC(=CC(=[O]2)C)C)(OC2=CC=CC=CC2=[O]3)[O]=C2C=CC=CC=C2O1
• Title of publication: Chiroptical switching behavior of heteroleptic ruthenium complexes bearing acetylacetonato and tropolonato ligands
• Authors of publication: Yoshida, Jun; Yamazaki, Kana; Tateyama, Kazunori; Yuge, Hidetaka; Sato, Hisako
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 28.6206 ± 0.0004 Å
• b: 7.38672 ± 0.00013 Å
• c: 8.17443 ± 0.00013 Å
• α: 90°
• β: 91.0315 ± 0.0015°
• γ: 90°
• Cell volume: 1727.9 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No