Information card for entry 7717282

Structure parameters

• Formula: C40 H42 Cu N4 O2
• Calculated formula: C40 H42 Cu N4 O2
• 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
• Year of publication: 2024
• a: 10.9603 ± 0.0002 Å
• b: 10.4001 ± 0.0002 Å
• c: 14.9309 ± 0.0003 Å
• α: 90°
• β: 98.83 ± 0.002°
• γ: 90°
• Cell volume: 1681.78 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No