Information card for entry 7034451

Structure parameters

• Formula: C13 H15 F6 O2 P Ru
• Calculated formula: C13 H15 F6 O2 P Ru
• SMILES: [Ru]123456789([cH]%10[cH]3[cH]4[cH]1[cH]2%10)[cH]1[cH]5[cH]6[cH]8[c]7([cH]91)OCOC.[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: 18.367 ± 0.004 Å
• b: 8.8317 ± 0.0018 Å
• c: 25.123 ± 0.004 Å
• α: 90°
• β: 133.146 ± 0.01°
• γ: 90°
• Cell volume: 2973.4 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0292
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No