Information card for entry 4516780

Structure parameters

• Formula: C40 H70 Cl2 Co2 F6 N2 O6 P4 S2
• Calculated formula: C40 H70 Cl2 Co2 F6 N2 O6 P4 S2
• Title of publication: Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.
• Authors of publication: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.
• Journal of publication: ACS central science
• Year of publication: 2016
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 935 - 942
• a: 10.1526 ± 0.0004 Å
• b: 11.188 ± 0.0004 Å
• c: 11.4068 ± 0.0004 Å
• α: 90°
• β: 94.395 ± 0.001°
• γ: 90°
• Cell volume: 1291.86 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No