Information card for entry 7224068

Structure parameters

• Formula: C94 H82 Cl0 Cu2 N8 O10 P4
• Calculated formula: C94 H84 Cu2 N8 O10 P4
• SMILES: c1c(c2c(cccc2)[nH]1)C=[N]1NC(C2N[N](=Cc3c[nH]c4c3cccc4)[Cu]([O]=2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)=[O][Cu]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].OC.N(=O)(=O)[O-].OC
• Title of publication: A binuclear Cu(I) complex as novel catalyst towards direct synthesis of N‒2‒aryl‒substituted‒1,2,3‒triazoles from chalcones
• Authors of publication: Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Rahul; Singh, Krishna Nand; Singh, Vinod Prasad
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.557 ± 0.0014 Å
• b: 21.963 ± 0.002 Å
• c: 16.506 ± 0.0018 Å
• α: 90°
• β: 103.072 ± 0.01°
• γ: 90°
• Cell volume: 4434.2 ± 0.8 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: 0.1072
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No