Information card for entry 7158419

Structure parameters

• Formula: C72 H108 Cl6 Cu4 F4 N8 O
• Calculated formula: C72 H108 Cl6 Cu4 F4 N8 O
• 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: 11.5858 ± 0.0004 Å
• b: 11.5858 ± 0.0004 Å
• c: 29.2335 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3924 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No