Information card for entry 1575434

Structure parameters

• Formula: C28 H40 B Cu F4 N8
• Calculated formula: C28 H40 B Cu F4 N8
• 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: 8.226 ± 0.011 Å
• b: 13.824 ± 0.017 Å
• c: 14.502 ± 0.018 Å
• α: 100.6 ± 0.03°
• β: 96.12 ± 0.04°
• γ: 97.88 ± 0.03°
• Cell volume: 1591 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1566
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.3228
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No