Information card for entry 1576741

Structure parameters

• Formula: C31 H33 Cu F6 N5 P
• Calculated formula: C31 H33 Cu F6 N5 P
• 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: 8.9525 ± 0.0005 Å
• b: 12.2544 ± 0.0008 Å
• c: 14.4861 ± 0.0007 Å
• α: 78.93 ± 0.002°
• β: 83.833 ± 0.002°
• γ: 83.018 ± 0.002°
• Cell volume: 1542.32 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No