Information card for entry 7224569

Structure parameters

• Formula: C20 H29 F6 O P Ru
• Calculated formula: C20 H29 F6 O P Ru
• SMILES: [Ru]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[cH]1[c]9(OCCCCCCCCC)[cH]8[cH]7[cH]6[cH]51.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.
• Authors of publication: Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 10041 - 10048
• a: 10.389 ± 0.003 Å
• b: 10.393 ± 0.003 Å
• c: 11.05 ± 0.003 Å
• α: 84.703 ± 0.004°
• β: 67.159 ± 0.004°
• γ: 82.242 ± 0.004°
• Cell volume: 1088.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No