Information card for entry 4085480

Structure parameters

• Common name: Compound 6
• Formula: C85 H54 B F24 O P2 Rh
• Calculated formula: C85 H54 B F24 O P2 Rh
• 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: 13.7157 ± 0.0002 Å
• b: 14.8773 ± 0.0002 Å
• c: 19.8016 ± 0.00029 Å
• α: 92.0677 ± 0.0006°
• β: 94.1593 ± 0.0006°
• γ: 104.891 ± 0.0007°
• Cell volume: 3888.31 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No