Information card for entry 7003495

Structure parameters

• Common name: bis(3,3-(butylenedioxy)-2,2-bipyridine)-palladium(ii) bis(hexafluorophosphate)
• Chemical name: bis(3,3-(butylenedioxy)-2,2-bipyridine)-palladium(II) bis(hexafluorophosphate)
• Formula: C28 H28 F12 N4 O4 P2 Pd
• Calculated formula: C28 H28 F12 N4 O4 P2 Pd
• SMILES: [Pd]12([n]3cccc4OCCCCOc5c([n]1ccc5)c34)[n]1cccc3OCCCCOc4c([n]2ccc4)c13.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(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: 13.43 ± 0.003 Å
• b: 13.511 ± 0.003 Å
• c: 18.203 ± 0.004 Å
• α: 90°
• β: 91.69 ± 0.03°
• γ: 90°
• Cell volume: 3301.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No