Information card for entry 1563710

Structure parameters

• Formula: C42 H27 F7 P Rh
• Calculated formula: C42 H27 F7 P Rh
• SMILES: [Rh]123([P](c4ccc(F)cc4)(c4ccc(F)cc4)c4ccc(F)cc4)([CH]4=[CH]1C1c5c(C4[CH]2=[CH]31)c(F)c(F)c(F)c5F)c1c(c2ccccc2)cccc1
• Title of publication: (η4-Tetrafluorobenzobarrelene)-η1-((tri-4-fluorophenyl)phosphine)-η1-(2-phenylphenyl)rhodium(I): A Catalyst for the Living Polymerization of Phenylacetylenes
• Authors of publication: Sheng Loong Tan, Nicholas; Nealon, Gareth L.; Moggach, Stephen A.; Lynam, Jason M.; Ogden, Mark I.; Massi, Massimiliano; Lowe, Andrew B.
• Journal of publication: Macromolecules
• Year of publication: 2021
• a: 26.3019 ± 0.0003 Å
• b: 10.3175 ± 0.0001 Å
• c: 25.131 ± 0.0004 Å
• α: 90°
• β: 94.732 ± 0.001°
• γ: 90°
• Cell volume: 6796.55 ± 0.15 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No