Information card for entry 7061804

Structure parameters

• Formula: C41 H34 Cu Fe N O2 P2 S
• Calculated formula: C41 H34 Cu Fe N O2 P2 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: 9.398 ± 0.002 Å
• b: 12 ± 0.003 Å
• c: 16.965 ± 0.005 Å
• α: 75.782 ± 0.012°
• β: 76.765 ± 0.01°
• γ: 86.006 ± 0.009°
• Cell volume: 1805.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No