Information card for entry 1566341

Structure parameters

• Formula: C22 H23 Cl2 F6 N3 P Rh
• Calculated formula: C22 H23 Cl2 F6 N3 P Rh
• Title of publication: Polymerization of phenylacetylene catalyzed by rhodium(i) complexes with N-functionalized N-heterocyclic carbene ligands
• Authors of publication: Angoy, Marta; Jiménez, M. Victoria; Lahoz, Fernando J.; Vispe, Eugenio; Pérez-Torrente, Jesús J.
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 1411 - 1421
• a: 12.804 ± 0.007 Å
• b: 13.813 ± 0.008 Å
• c: 13.807 ± 0.008 Å
• α: 90°
• β: 95.465 ± 0.008°
• γ: 90°
• Cell volume: 2431 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No