Information card for entry 7029658

Structure parameters

• Formula: C21 H39 F6 N3 O6 Pd S2
• Calculated formula: C21 H39 F6 N3 O6 Pd S2
• SMILES: C[N]1(C)CC[N](C)(C)[Pd]21OC(=C(C(=[O]2)C)CCCCCCCC)C.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
• 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: 14.94 ± 0.007 Å
• b: 17.007 ± 0.008 Å
• c: 25.222 ± 0.012 Å
• α: 99.486 ± 0.006°
• β: 97.232 ± 0.007°
• γ: 102.134 ± 0.007°
• Cell volume: 6093 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No