Information card for entry 4079812

Structure parameters

• Formula: C16 H30 Cl F6 N2 P Ru
• Calculated formula: C16 H30 Cl F6 N2 P Ru
• SMILES: [Ru]123456(Cl)([cH]7[cH]1[c]5([cH]3[cH]2[c]47C(C)C)C)[N](CC[N]6(C)C)(C)C.[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: 8.3713 ± 0.0012 Å
• b: 11.7297 ± 0.0017 Å
• c: 20.707 ± 0.003 Å
• α: 90°
• β: 91.798 ± 0.002°
• γ: 90°
• Cell volume: 2032.3 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No