Information card for entry 7714831

Structure parameters

• Formula: C32 H54 Br2 Cu2 N4 P2
• Calculated formula: C32 H54 Br2 Cu2 N4 P2
• SMILES: [Br]1[Cu]23([Br][Cu]412[P](c1n([N]4(C)C)ccc1)(C1CCCC1)C1CCCC1)[P](c1n([N]3(C)C)ccc1)(C1CCCC1)C1CCCC1
• Title of publication: Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.
• Authors of publication: Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2231 - 2241
• a: 8.7269 ± 0.0003 Å
• b: 16.8301 ± 0.0007 Å
• c: 24.7526 ± 0.001 Å
• α: 90°
• β: 93.204 ± 0.001°
• γ: 90°
• Cell volume: 3629.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No