Information card for entry 4032272

Structure parameters

• Formula: C24 H22 F12 N6 Ni P2
• Calculated formula: C24 H22 F12 N6 Ni 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: 11.0651 ± 0.0007 Å
• b: 11.7597 ± 0.0007 Å
• c: 13.8038 ± 0.0008 Å
• α: 65.204 ± 0.002°
• β: 69.405 ± 0.002°
• γ: 66.42 ± 0.002°
• Cell volume: 1457.44 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No