Information card for entry 7717283

Structure parameters

• Formula: C21 H24 Br Cu N2 O
• Calculated formula: C21 H24 Br Cu N2 O
• Title of publication: Exploring the reductive CO₂ fixation with amines and hydrosilanes using readily available Cu(II) NHC-phenolate catalyst precursors.
• Authors of publication: Meloni, Giammarco; Morgan, Luca; Cappelletti, David; Bevilacqua, Matteo; Graiff, Claudia; Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Baron, Marco
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 45
• Pages of publication: 18128 - 18140
• a: 15.9866 ± 0.0003 Å
• b: 12.915 ± 0.0003 Å
• c: 10.0896 ± 0.0002 Å
• α: 90°
• β: 91.323 ± 0.002°
• γ: 90°
• Cell volume: 2082.61 ± 0.07 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No