Information card for entry 7034449

Structure parameters

• Formula: C15 H19 F6 P Ru
• Calculated formula: C15 H19 F6 P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[c]2([cH]9[cH]8[cH]7[cH]6[cH]12)CCCC.[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: 7.6403 ± 0.001 Å
• b: 9.1602 ± 0.0012 Å
• c: 23.401 ± 0.003 Å
• α: 90°
• β: 108.8 ± 0.004°
• γ: 90°
• Cell volume: 1550.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No