Information card for entry 4087372

Structure parameters

• Formula: C29 H47 F6 O3 P Ru
• Calculated formula: C29 H47 F6 O3 P Ru
• SMILES: [Ru]123456789([cH]%10[cH]9[cH]3[cH]1[cH]2%10)[c]1([c]7([cH]4[cH]8[cH]6[c]51OCCCCCC)OCCCCCC)OCCCCCC.[P](F)(F)(F)(F)(F)[F-]
• 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: 29.936 ± 0.008 Å
• b: 10.558 ± 0.002 Å
• c: 21.067 ± 0.005 Å
• α: 90°
• β: 110.539 ± 0.003°
• γ: 90°
• Cell volume: 6235 ± 3 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: 0.1014
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No