Information card for entry 4518996

Structure parameters

• Formula: C20 H20 Br2 N2 Ni
• Calculated formula: C20 H20 Br2 N2 Ni
• Title of publication: Nickel-Catalyzed Annulations of ortho-Haloarylimines
• Authors of publication: Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 10351 - 10361
• a: 8.0595 ± 0.0002 Å
• b: 30.6742 ± 0.0007 Å
• c: 8.6369 ± 0.0002 Å
• α: 90°
• β: 112.236 ± 0.002°
• γ: 90°
• Cell volume: 1976.41 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No