Information card for entry 4126956

Structure parameters

• Common name: JLH-5-218
• Chemical name: JLH-5-218
• Formula: C71.73 H64.73 Cl8.54 N6.73 Ni3 O6
• Calculated formula: C71.731 H64.731 Cl8.538 N6.731 Ni3 O6
• Title of publication: Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.
• Authors of publication: Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.8277 ± 0.0018 Å
• b: 15.771 ± 0.002 Å
• c: 16.569 ± 0.002 Å
• α: 90°
• β: 116.546 ± 0.004°
• γ: 90°
• Cell volume: 3466.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No