Information card for entry 1514918

Structure parameters

• Formula: C24 H22 Cu N4 O5
• Calculated formula: C24 H22 Cu N4 O5
• SMILES: c1(ccncc1)c1cc2c3cccc[n]3[Cu]3([n]2c(c1)c1cccc[n]31)(OC(=O)C)OC(=O)C.O
• Title of publication: "Turn on" electron-transfer-based selective detection of ascorbic acid via copper complexes immobilized on glass.
• Authors of publication: Singh, Vikram; Mondal, Prakash Chandra; Lakshmanan, Jeyachandran Yekkoni; Zharnikov, Michael; Gupta, Tarkeshwar
• Journal of publication: The Analyst
• Year of publication: 2012
• Journal volume: 137
• Journal issue: 14
• Pages of publication: 3216 - 3219
• a: 8.7402 ± 0.0004 Å
• b: 10.657 ± 0.0006 Å
• c: 13.3251 ± 0.0005 Å
• α: 73.598 ± 0.004°
• β: 81.236 ± 0.004°
• γ: 66.007 ± 0.005°
• Cell volume: 1086.77 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No