Information card for entry 7226513

Structure parameters

• Chemical name: Diaqua-bis(ethylenediamine)-copper(ii)bis(mefenamate)
• Formula: C34 H48 Cu N6 O6
• Calculated formula: C34 H48 Cu N6 O6
• SMILES: C(=O)(c1ccccc1Nc1c(c(ccc1)C)C)[O-].[NH2]1[Cu]2([NH2]CC[NH2]2)([NH2]CC1)([OH2])[OH2].C(=O)(c1ccccc1Nc1c(c(ccc1)C)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: 7.6611 ± 0.0004 Å
• b: 7.7237 ± 0.0004 Å
• c: 17.5068 ± 0.001 Å
• α: 79.714 ± 0.003°
• β: 83.229 ± 0.003°
• γ: 61.736 ± 0.003°
• Cell volume: 897.08 ± 0.09 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: 0.0618
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No