Information card for entry 4032273

Structure parameters

• Formula: C42 H35 Cl2 F12 N9 Ni2 P2
• Calculated formula: C42 H35 Cl2 F12 N9 Ni2 P2
• Title of publication: Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.
• Authors of publication: Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 1996 - 2003
• a: 15.9755 ± 0.0008 Å
• b: 20.1371 ± 0.001 Å
• c: 14.1329 ± 0.0007 Å
• α: 90°
• β: 97.688 ± 0.002°
• γ: 90°
• Cell volume: 4505.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No