Information card for entry 7241650

Structure parameters

• Formula: C14 H17 F6 O P Ru
• Calculated formula: C14 H17 F6 O P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[cH]2[cH]1[c]9([cH]6[cH]7[cH]82)[C@H](C)OC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
• Authors of publication: Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 44
• Pages of publication: 25803 - 25810
• a: 9.5873 ± 0.0006 Å
• b: 12.2766 ± 0.0008 Å
• c: 12.9471 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523.87 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No