Information card for entry 7009952

Structure parameters

• Formula: C20 H22 F3 N2 O3 P Pd S
• Calculated formula: C20 H22 F3 N2 O3 P Pd S
• SMILES: [Pd]1([n]2c(c3[n]1cccc3)cccc2)(C)[P](c1ccccc1)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Trimethyl-palladium(IV) and -platinum(IV) complexes containing phosphine donor ligands, including studies of 1,5,9-triethyl-1,5,9-triphosphacyclodecane and X-ray structural studies of palladium(II) and palladium(IV) complexes †
• Authors of publication: Bayler, Angela; Canty, Allan J.; Edwards, Peter G.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3325
• a: 9.6042 ± 0.0009 Å
• b: 11.5323 ± 0.001 Å
• c: 20.241 ± 0.002 Å
• α: 90°
• β: 98.652 ± 0.001°
• γ: 90°
• Cell volume: 2216.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No