Information card for entry 7061802

Structure parameters

• Formula: C20.5 H16.5 Cu0.5 O P S0.5
• Calculated formula: C20.5 H16.5 Cu0.5 O P S0.5
• 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: 10.1599 ± 0.0008 Å
• b: 12.7943 ± 0.0011 Å
• c: 13.7766 ± 0.0011 Å
• α: 86.345 ± 0.003°
• β: 77.196 ± 0.003°
• γ: 74.115 ± 0.003°
• Cell volume: 1679.6 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0558
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No