Information card for entry 7061765

Structure parameters

• Formula: C68 H62 Cu2 O4 P4 S2
• Calculated formula: C68 H62 Cu2 O4 P4 S2
• Title of publication: Synthesis and structural studies of Cu(i) methylthiosalicylate complexes and their catalytic application in thiol-yne click reaction
• Authors of publication: Kumar, Krishna; Tiwari, Priyanka; Kant, Rajni; Bhattacharya, Subrato
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 17854 - 17864
• a: 21.0124 ± 0.0011 Å
• b: 23.775 ± 0.0011 Å
• c: 12.1359 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6062.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No