Information card for entry 7029656

Structure parameters

• Formula: C13 H23 F6 N3 O6 Pd S2
• Calculated formula: C13 H23 F6 N3 O6 Pd S2
• SMILES: C[N]1(C)CC[N](C)(C)[Pd]21OC(=CC(=[O]2)C)C.C(F)(F)(F)S(=O)(=O)N=S([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: 8.6854 ± 0.0011 Å
• b: 10.5387 ± 0.0013 Å
• c: 13.6525 ± 0.0017 Å
• α: 104.677 ± 0.001°
• β: 92.066 ± 0.001°
• γ: 112.022 ± 0.001°
• Cell volume: 1108.6 ± 0.2 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: 0.0265
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No