Information card for entry 7227454

Structure parameters

• Formula: C13 H15 F6 P Ru
• Calculated formula: C13 H15 F6 P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]167892345[c]2([cH]1[cH]6[cH]7[cH]8[cH]92)CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.
• Authors of publication: Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 4352 - 4359
• a: 8.7719 ± 0.0017 Å
• b: 12.685 ± 0.002 Å
• c: 12.779 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1421.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No