Information card for entry 7713098

Structure parameters

• Formula: C72 H70 Cu2 N4
• Calculated formula: C72 H70 Cu2 N4
• SMILES: [Cu]12[Cu]([N](=Cc3n1c(cc3)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=Cc1n2c(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: New copper(I) complexes of bulky 5-substituted-2-iminopyrrolyl ligands as catalysts for azide-alkyne cycloaddition
• Authors of publication: Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Lopes, Patrícia S.; Lemos, Maria Amélia N. D. A.; Veiros, Luis F.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.766 ± 0.002 Å
• b: 13.503 ± 0.003 Å
• c: 20.234 ± 0.003 Å
• α: 83.795 ± 0.008°
• β: 87.004 ± 0.008°
• γ: 73.954 ± 0.005°
• Cell volume: 3331.5 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2981
• Weighted residual factors for all reflections included in the refinement: 0.3243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No