Information card for entry 4085486

Structure parameters

• Chemical name: Compound 13
• Formula: C81 H56 B Cl2 F24 O P2 Rh S
• Calculated formula: C81 H56 B Cl2 F24 O 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: 12.5123 ± 0.0003 Å
• b: 16.2848 ± 0.0004 Å
• c: 19.86 ± 0.0006 Å
• α: 93.648 ± 0.002°
• β: 108.082 ± 0.002°
• γ: 97.3064 ± 0.0019°
• Cell volume: 3792.71 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9817
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No