Information card for entry 4348015

Structure parameters

• Formula: C35 H25 B F4 N4 O3 Ru
• Calculated formula: C35 H25 B F4 N4 O3 Ru
• SMILES: [Ru]123([O]=C4C(O1)=C(Oc1c4cccc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B](F)(F)(F)[F-]
• Title of publication: Characterization of the Initial Intermediate Formed during Photoinduced Oxygenation of the Ruthenium(II) Bis(bipyridyl)flavonolate Complex.
• Authors of publication: Han, Xiaozhen; Klausmeyer, Kevin K.; Farmer, Patrick J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7320 - 7322
• a: 12.8932 ± 0.0006 Å
• b: 13.3868 ± 0.0007 Å
• c: 13.8876 ± 0.0007 Å
• α: 117.522 ± 0.002°
• β: 94.824 ± 0.002°
• γ: 105.152 ± 0.002°
• Cell volume: 1992.19 ± 0.18 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: 0.071
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No