Information card for entry 7003491

Structure parameters

• Common name: bis-trifluoroacetate-(3,3-(ethylenedioxy)-2,2-bipyridine)- palladium(ii)
• Chemical name: bis-trifluoroacetate-(3,3-(ethylenedioxy)-2,2-bipyridine)-palladium(II)
• Formula: C16 H10 F6 N2 O6 Pd
• Calculated formula: C16 H10 F6 N2 O6 Pd
• SMILES: [Pd]1([n]2c3c4[n]1cccc4OCCOc3ccc2)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction
• Authors of publication: Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2171 - 2182
• a: 12.305 ± 0.003 Å
• b: 9.105 ± 0.003 Å
• c: 16.979 ± 0.004 Å
• α: 90°
• β: 110.17 ± 0.03°
• γ: 90°
• Cell volume: 1785.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No