Information card for entry 4130195

Structure parameters

• Formula: C19 H8 F12 N2 O9 Pd
• Calculated formula: C19 H8 F12 N2 O9 Pd
• SMILES: [Pd]1([n]2c3c4[n]1cccc4C(=O)c3ccc2)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.FC(F)(F)C(=O)O.FC(F)(F)C(=O)O
• Title of publication: Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.
• Authors of publication: White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4869 - 4880
• a: 11.0499 ± 0.001 Å
• b: 11.1974 ± 0.0009 Å
• c: 11.2382 ± 0.0007 Å
• α: 96.618 ± 0.003°
• β: 114.186 ± 0.003°
• γ: 99.355 ± 0.005°
• Cell volume: 1225.77 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No