Information card for entry 4085484

Structure parameters

• Chemical name: Compound 11
• Formula: C83.4 H63 B F24.4 N O2 P2 Rh S
• Calculated formula: C83.4 H63 B F24.4 N O2 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: 22.0601 ± 0.0002 Å
• b: 24.9467 ± 0.0002 Å
• c: 14.0763 ± 0.0002 Å
• α: 90°
• β: 90.2181 ± 0.0011°
• γ: 90°
• Cell volume: 7746.51 ± 0.14 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: 0.0698
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections: 0.1809
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9918
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No