Information card for entry 4065432

Structure parameters

• Formula: C72 H60 Br4 Cu4 O4 P4
• Calculated formula: C72 H60 Br4 Cu4 O4 P4
• SMILES: [Cu]12([Br]3[Cu]4([Br]1[Cu]1([Br]2[Cu]3([Br]41)[P](Oc1ccccc1)(c1ccccc1)c1ccccc1)[P](Oc1ccccc1)(c1ccccc1)c1ccccc1)[P](Oc1ccccc1)(c1ccccc1)c1ccccc1)[P](Oc1ccccc1)(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: 17.3739 ± 0.0004 Å
• b: 20.9402 ± 0.0004 Å
• c: 19.1287 ± 0.0003 Å
• α: 90°
• β: 97.8271 ± 0.0017°
• γ: 90°
• Cell volume: 6894.4 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No