Information card for entry 4085483

Structure parameters

• Chemical name: Compound 10'
• Formula: C78 H51 B F24 N O3 P2 Rh S
• Calculated formula: C78 H51 B F24 N O3 P2 Rh S
• Title of publication: Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis
• Authors of publication: Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 711
• a: 21.9983 ± 0.0002 Å
• b: 24.7598 ± 0.0002 Å
• c: 14.206 ± 0.0001 Å
• α: 90°
• β: 91.0396 ± 0.0009°
• γ: 90°
• Cell volume: 7736.36 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0278
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No