Information card for entry 4087005

Structure parameters

• Formula: C33 H44 Cl O P2 Rh
• Calculated formula: C33 H44 Cl O P2 Rh
• SMILES: [Rh]12([P](C(C)C)(C(C)C)c3cccc4c3[O]2c2c(C4(C)C)cccc2[P]1(C(C)C)C(C)C)c1cc(Cl)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: 14.7544 ± 0.0011 Å
• b: 19.8932 ± 0.0016 Å
• c: 21.5065 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6312.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No