Information card for entry 7209293

Structure parameters

• Formula: C37 H56 Cu I N4 O2
• Calculated formula: C37 H56 Cu I N4 O2
• SMILES: c1(c(cc(cc1C(C)C)CN1CCOCC1)C(C)C)N1C(=[Cu]I)N(c2c(cc(cc2C(C)C)CN2CCOCC2)C(C)C)CC1
• Title of publication: pH-Responsive N-heterocyclic carbene copper(i) complexes: syntheses and recoverable applications in the carboxylation of arylboronic esters and benzoxazole with carbon dioxide
• Authors of publication: Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei
• Journal of publication: Green Chemistry
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 635
• a: 16.9 ± 0.02 Å
• b: 27.54 ± 0.03 Å
• c: 8.179 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3807 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.182
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.261
• Weighted residual factors for all reflections included in the refinement: 0.2871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No