Information card for entry 4079811

Structure parameters

• Formula: C13 H22 Cl F6 P Ru S2
• Calculated formula: C13 H22 Cl F6 P Ru S2
• SMILES: [Ru]123456([S](C[S]6C)C)([cH]6[c]1(C(C)C)[cH]2[cH]3[c]5(C)[cH]46)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes
• Authors of publication: Mori, Shotaro; Mochida, Tomoyuki
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 780
• a: 8.3913 ± 0.0013 Å
• b: 23.193 ± 0.004 Å
• c: 10.4686 ± 0.0017 Å
• α: 90°
• β: 109.497 ± 0.002°
• γ: 90°
• Cell volume: 1920.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No