Information card for entry 7061803

Structure parameters

• Formula: C59 H49 Cu2 O2 P3 S2
• Calculated formula: C59 H48 Cl Cu2 O2 P3 S
• Title of publication: Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster
• Authors of publication: Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 18471 - 18481
• a: 9.7869 ± 0.0008 Å
• b: 13.8449 ± 0.001 Å
• c: 19.71 ± 0.0016 Å
• α: 94.877 ± 0.002°
• β: 96.169 ± 0.002°
• γ: 98.945 ± 0.002°
• Cell volume: 2608.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No