Information card for entry 4339188

Structure parameters

• Common name: AW11
• Chemical name: AW11
• Formula: C18 H9 F12 N3 O4 Ru
• Calculated formula: C18 H9 F12 N3 O4 Ru
• SMILES: [Ru]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[n]1ccccc1c1[nH]cc[n]31
• Title of publication: Synthesis and characterization of ruthenium bis(beta-diketonato) pyridine-imidazole complexes for hydrogen atom transfer.
• Authors of publication: Wu, Adam; Masland, Joshua; Swartz, Rodney D.; Kaminsky, Werner; Mayer, James M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11190 - 11201
• a: 9.859 ± 0.0004 Å
• b: 19.459 ± 0.001 Å
• c: 23.84 ± 0.0013 Å
• α: 90°
• β: 90.39 ± 0.002°
• γ: 90°
• Cell volume: 4573.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2302
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No