Information card for entry 7158417

Structure parameters

• Formula: C18 H22 Br4 Cu2 F2 N4
• Calculated formula: C18 H22 Br4 Cu2 F2 N4
• Title of publication: Understanding Cu(II)-based systems for C(sp³)-H bond functionalization: insights into the synthesis of aza-heterocycles.
• Authors of publication: Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 219 - 227
• a: 7.8883 ± 0.0006 Å
• b: 8.1714 ± 0.0007 Å
• c: 10.3538 ± 0.0008 Å
• α: 71.537 ± 0.002°
• β: 79.335 ± 0.002°
• γ: 70.634 ± 0.003°
• Cell volume: 594.83 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No