Information card for entry 4088700

Structure parameters

• Formula: C37 H47 F3 O3 P Rh S
• Calculated formula: C37 H47 F3 O3 P Rh S
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]162345([C](#[C]1[C]6=C(C)c1ccccc1)c1ccccc1)[P](CC=C)(C(C)C)C(C)C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes
• Authors of publication: Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2793
• a: 9.0793 ± 0.0006 Å
• b: 11.851 ± 0.0005 Å
• c: 32.869 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No