Information card for entry 7020782

Structure parameters

• Chemical name: 1,3-Di-tert-butyl-1H-imidazol-3-ium tetrachloropalladate
• Formula: C22 H42 Cl4 N4 Pd
• Calculated formula: C22 H42 Cl4 N4 Pd
• SMILES: c1n(c[n+](C(C)(C)C)c1)C(C)(C)C.Cl[Pd](Cl)([Cl-])[Cl-].c1c[n+](cn1C(C)(C)C)C(C)(C)C
• Title of publication: Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.
• Authors of publication: Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1385 - 1393
• a: 17.3545 ± 0.0007 Å
• b: 9.4171 ± 0.0005 Å
• c: 10.5259 ± 0.0005 Å
• α: 90°
• β: 125.898 ± 0.002°
• γ: 90°
• Cell volume: 1393.5 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No