Information card for entry 7061763

Structure parameters

• Formula: C44 H37 Cu O2 P2 S
• Calculated formula: C44 H37 Cu O2 P2 S
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)Sc2c(C(=[O]1)OC)cccc2
• 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: 14.1642 ± 0.0004 Å
• b: 12.2765 ± 0.0003 Å
• c: 22.8841 ± 0.0006 Å
• α: 90°
• β: 107.356 ± 0.001°
• γ: 90°
• Cell volume: 3798.07 ± 0.17 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No