Information card for entry 4087004

Structure parameters

• Formula: C33 H44 F O P2 Rh
• Calculated formula: C33 H44 F O P2 Rh
• SMILES: [Rh]12([P](c3cccc4c3[O]2c2c(C4(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1cc(F)ccc1
• Title of publication: Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex
• Authors of publication: Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 114
• a: 14.6602 ± 0.0004 Å
• b: 20.0564 ± 0.0007 Å
• c: 21.1865 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6229.5 ± 0.4 ų
• Cell temperature: 150.05 ± 0.1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No