Information card for entry 1576743

Structure parameters

• Formula: C19 H24 Cu N5
• Calculated formula: C19 H24 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: 10.6182 ± 0.0002 Å
• b: 10.6182 ± 0.0002 Å
• c: 43.2847 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4226.36 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No