Information card for entry 7010414

Structure parameters

• Formula: C12 H28 B2 F8 N2 O4 Pd S2
• Calculated formula: C12 H28 B2 F8 N2 O4 Pd S2
• SMILES: [B](F)(F)(F)[F-].[Pd]1([N](=C(C)C)O)([N](=C(C)C)O)[S](CC[S]1CCO)CCO.[B](F)(F)(F)[F-]
• Title of publication: Acetoxime coordinates to palladium(II) and is catalytically hydrolysed to acetone†
• Authors of publication: Kaminskaia, Natalia V.; Kostić, Nenad M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1083
• a: 17.1864 ± 0.0008 Å
• b: 13.0928 ± 0.0006 Å
• c: 11.1356 ± 0.0005 Å
• α: 90°
• β: 113.952 ± 0.001°
• γ: 90°
• Cell volume: 2289.93 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No