Information card for entry 1575435

Structure parameters

• Formula: C16 H23 B Cu F4 N5
• Calculated formula: C16 H23 B Cu F4 N5
• Title of publication: Borane-functionalized heteroscorpionate copper complexes as catalysts for azide-alkyne cycloaddition.
• Authors of publication: Cruz, Tiago F. C.; López-Sánchez, Belén; Lemos, M Amélia N D A; Romerosa, Antonio; Martins, Luísa M D R S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 13472 - 13482
• a: 13.002 ± 0.004 Å
• b: 8.038 ± 0.002 Å
• c: 18.973 ± 0.007 Å
• α: 90°
• β: 92.813 ± 0.01°
• γ: 90°
• Cell volume: 1980.5 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No