Information card for entry 1576742

Structure parameters

• Formula: C31 H32 Cu N5
• Calculated formula: C31 H32 Cu N5
• Title of publication: Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.
• Authors of publication: Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 2087 - 2101
• a: 9.1454 ± 0.0008 Å
• b: 11.536 ± 0.0011 Å
• c: 14.1953 ± 0.0015 Å
• α: 69.605 ± 0.003°
• β: 74.381 ± 0.003°
• γ: 80.865 ± 0.003°
• Cell volume: 1348.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.313
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No