Information card for entry 7058361

Structure parameters

• Formula: C81 H67 Cu2 N O2 P4 S4
• Calculated formula: C81 H67 Cu2 N O2 P4 S4
• Title of publication: Highly efficient structurally characterised novel precatalysts: di- and mononuclear heteroleptic Cu(i) dixanthate/xanthate‒phosphine complexes for azide‒alkyne cycloadditions
• Authors of publication: Anamika, Anamika; Agrahari, Anand K.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8939
• a: 12.8039 ± 0.0013 Å
• b: 12.9993 ± 0.0012 Å
• c: 13.5744 ± 0.0015 Å
• α: 88.922 ± 0.009°
• β: 67.762 ± 0.01°
• γ: 61.724 ± 0.01°
• Cell volume: 1805.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No