Information card for entry 7061764

Structure parameters

• Formula: C42 H35 Cu Fe O2 P2 S
• Calculated formula: C42 H35 Cu Fe O2 P2 S
• 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: 11.521 ± 0.007 Å
• b: 19.574 ± 0.011 Å
• c: 16.525 ± 0.008 Å
• α: 90°
• β: 106.992 ± 0.014°
• γ: 90°
• Cell volume: 3564 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No