Information card for entry 4087374

Structure parameters

• Formula: C65 H119 F6 O3 P Ru
• Calculated formula: C65 H119 F6 O3 P Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[c]2([c]9([cH]8[cH]7[cH]6[c]12OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
• Title of publication: Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths
• Authors of publication: Ueda, Takahiro; Mochida, Tomoyuki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1279
• a: 10.283 ± 0.002 Å
• b: 10.161 ± 0.002 Å
• c: 64.085 ± 0.013 Å
• α: 90°
• β: 97.965 ± 0.003°
• γ: 90°
• Cell volume: 6631 ± 2 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: 0.0631
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No