Information card for entry 7044035

Structure parameters

• Formula: C76 H80 Cu2 O12 P4 S
• Calculated formula: C76 H64 Cu2 O12 P4 S
• Title of publication: A dinuclear copper(I) thiodiacetate complex as an efficient and reusable ‘click’ catalyst for the synthesis of glycoconjugates
• Authors of publication: Sareen, Neha; Singh, Anoop S.; TIWARI, Vinod K K; Kant, Rajni; Bhattacharya, Subrato
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.251 ± 0.002 Å
• b: 13.8014 ± 0.0017 Å
• c: 20.973 ± 0.003 Å
• α: 91.438 ± 0.01°
• β: 94.858 ± 0.012°
• γ: 103.183 ± 0.012°
• Cell volume: 3717.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No