Information card for entry 7034452

Structure parameters

• Formula: C15 H17 F6 O P Ru
• Calculated formula: C15 H17 F6 O P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[cH]2[c]9([cH]8[cH]7[cH]6[cH]12)C(=O)CCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).
• Authors of publication: Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7595 - 7605
• a: 20.886 ± 0.003 Å
• b: 10.4222 ± 0.0013 Å
• c: 15.2449 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318.5 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No