Information card for entry 7032214

Structure parameters

• Formula: C16 H22 F6 N4 O4 P Ru
• Calculated formula: C16 H22 F6 N4 O4 P Ru
• SMILES: [Ru]12([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)([n]1[nH]ccc1)[n]1[nH]ccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.
• Authors of publication: Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16066 - 16073
• a: 9.086 ± 0.0007 Å
• b: 10.4112 ± 0.0008 Å
• c: 12.5088 ± 0.001 Å
• α: 90.739 ± 0.001°
• β: 104.555 ± 0.001°
• γ: 94.704 ± 0.001°
• Cell volume: 1140.76 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No