Information card for entry 4065434

Structure parameters

• Formula: C32 H44 Br4 Cu4 O8 P4
• Calculated formula: C32 H44 Br4 Cu4 O8 P4
• SMILES: CO[P](c1ccccc1)(OC)[Cu]12[Br]3[Cu]4([Br]5[Cu]([P](c6ccccc6)(OC)OC)([Br]24)[Br]1[Cu]35[P](c1ccccc1)(OC)OC)[P](c1ccccc1)(OC)OC
• Title of publication: Novel Phosphinite and Phosphonite Copper(I) Complexes: Efficient Catalysts for Click Azide‒Alkyne Cycloaddition Reactions
• Authors of publication: Lal, Steven; McNally, Jayne; White, Andrew J. P.; Díez-González, Silvia
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6225
• a: 16.73268 ± 0.00009 Å
• b: 16.73268 ± 0.00009 Å
• c: 15.88529 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4447.6 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No