Information card for entry 4117995

Structure parameters

• Formula: C28 H44 F6 N O2 P2 Pd Sb
• Calculated formula: C28 H44 F6 N O2 P2 Pd Sb
• SMILES: [Pd]12([O]=C(Nc3c2cccc3)C)[P](c2ccccc2P(=[O]1)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes
• Authors of publication: Brad P. Carrow; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8802 - 8805
• a: 11.515 ± 0.004 Å
• b: 19.977 ± 0.007 Å
• c: 15.19 ± 0.005 Å
• α: 90°
• β: 105.728 ± 0.005°
• γ: 90°
• Cell volume: 3363 ± 2 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No