Information card for entry 7029657

Structure parameters

• Formula: C16 H29 F6 N3 O6 Pd S2
• Calculated formula: C16 H29 F6 N3 O6 Pd S2
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.[Pd]12(OC(=CC(=[O]2)C)C)[N](CC[N]1(C)C)(C)CCCC
• Title of publication: Ionic liquids from cationic palladium(ii) chelate complexes: preparation, thermal properties, and crystal structures.
• Authors of publication: Hosokawa, Hitoshi; Funasako, Yusuke; Mochida, Tomoyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6864 - 6869
• a: 13.4591 ± 0.0018 Å
• b: 12.0133 ± 0.0016 Å
• c: 16.538 ± 0.002 Å
• α: 90°
• β: 106.677 ± 0.002°
• γ: 90°
• Cell volume: 2561.5 ± 0.6 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: 0.0217
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No