Information card for entry 7034823

Structure parameters

• Formula: C21 H26 B Cu0.5 F4 N2 O3
• Calculated formula: C21 H26 B Cu0.5 F4 N2 O3
• Title of publication: Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions.
• Authors of publication: Bent, S. J.; Mahon, M. F.; Webster, R. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10253 - 10258
• a: 9.6068 ± 0.0003 Å
• b: 10.622 ± 0.0004 Å
• c: 11.5052 ± 0.0005 Å
• α: 79.821 ± 0.003°
• β: 77.423 ± 0.003°
• γ: 73.676 ± 0.003°
• Cell volume: 1091.27 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No