Information card for entry 7040336

Structure parameters

• Formula: C43 H34 Cl2 N6 O6 Zn
• Calculated formula: C43 H34 Cl2 N6 O6 Zn
• SMILES: [Zn]1(OC(=O)c2ccccc2Nc2c(c(ccc2)C)C)(OC(=O)c2ccccc2Nc2c(C)c(ccc2)C)[n]2c3c4[n]1cccc4c1non(c1c3ccc2)=O.C(Cl)Cl
• Title of publication: Anti-inflammatory activity and enhanced COX-2 selectivity of nitric oxide-donating zinc(ii)-NSAID complexes.
• Authors of publication: Lakshman, Triloke Ranjan; Deb, Jolly; Paine, Tapan Kanti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14053 - 14057
• a: 11.3465 ± 0.0009 Å
• b: 12.7466 ± 0.0011 Å
• c: 15.1169 ± 0.0013 Å
• α: 105.715 ± 0.003°
• β: 93.52 ± 0.003°
• γ: 97.969 ± 0.002°
• Cell volume: 2073 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No