Information card for entry 7226514

Structure parameters

• Formula: C84 H88 Cu2 N8 O10
• Calculated formula: C84 H88 Cu2 N8 O10
• SMILES: c1c(ccc[n]1[Cu]([n]1cc(ccc1)C)(OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1)OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1)C.O
• Title of publication: New copper(II) complexes of anti-inflammatory drug mefenamic acid: a concerted study including synthesis, physicochemical characterization and their biological evaluation
• Authors of publication: Sharma, Raj Pal; Kumar, Santosh; Venugopalan, P.; Ferretti, Valeria; Tarushi, Alketa; Psomas, George L.; Witwicki, Maciej
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.2953 ± 0.0005 Å
• b: 11.3767 ± 0.0006 Å
• c: 16.1337 ± 0.0007 Å
• α: 93.629 ± 0.003°
• β: 99.882 ± 0.003°
• γ: 108.993 ± 0.003°
• Cell volume: 1915.41 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.151
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No