Information card for entry 4339187

Structure parameters

• Common name: AW06
• Chemical name: AW06
• Formula: C18 H11 F12 N3 O4 Ru
• Calculated formula: C18 H11 F12 N3 O4 Ru
• SMILES: [Ru]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[n]1ccccc1C1=[N]3CCN1
• 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: 9.8715 ± 0.0001 Å
• b: 19.7664 ± 0.0003 Å
• c: 23.8995 ± 0.0004 Å
• α: 90°
• β: 90.4656 ± 0.0005°
• γ: 90°
• Cell volume: 4663.21 ± 0.12 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: 0.1102
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No