Information card for entry 4065435

Structure parameters

• Formula: C76 H68 Br4 Cu4 O8 P4
• Calculated formula: C76 H68 Br4 Cu4 O8 P4
• SMILES: [Cu]12([Br]3[Cu]4([Br]1[Cu]1([Br]2[Cu]3([Br]41)[P](Oc1c(cccc1)OC)(c1ccccc1)c1ccccc1)[P](Oc1ccccc1OC)(c1ccccc1)c1ccccc1)[P](Oc1c(cccc1)OC)(c1ccccc1)c1ccccc1)[P](Oc1c(cccc1)OC)(c1ccccc1)c1ccccc1
• 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: 12.9911 ± 0.0003 Å
• b: 20.6763 ± 0.0006 Å
• c: 27.389 ± 0.0011 Å
• α: 90°
• β: 95.656 ± 0.003°
• γ: 90°
• Cell volume: 7321.1 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0726
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No