Information card for entry 7119668

Structure parameters

• Formula: C35 H51 F6 N3 O P Pd Sb
• Calculated formula: C35 H51 F6 N3 O P Pd Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Pd]1([O]=P(C2N3C=1N(c1c(C(C)C)cccc1C(C)C)C=C3C=CC=2)(C(C)(C)C)C(C)(C)C)([n]1c(cccc1C)C)C
• Title of publication: Copolymerisation of ethylene with polar monomers by using palladium catalysts bearing an N-heterocyclic carbene-phosphine oxide bidentate ligand.
• Authors of publication: Tao, W.; Akita, S.; Nakano, R.; Ito, S.; Hoshimoto, Y.; Ogoshi, S.; Nozaki, K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 2630 - 2633
• a: 10.179 ± 0.003 Å
• b: 22.751 ± 0.008 Å
• c: 16.348 ± 0.006 Å
• α: 90°
• β: 90.349 ± 0.006°
• γ: 90°
• Cell volume: 3786 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No