Information card for entry 7019525

Structure parameters

• Formula: C38 H30 Cl2 N4 O4 Zn
• Calculated formula: C38 H30 Cl2 N4 O4 Zn
• SMILES: [Zn]12(OC(=O)c3ccccc3Nc3cccc(c3C)Cl)([O]=C(O1)c1ccccc1Nc1cccc(c1C)Cl)[n]1ccccc1c1[n]2cccc1
• Title of publication: Structural features of mono- and tri-nuclear Zn(ii) complexes with a non-steroidal anti-inflammatory drug as ligand.
• Authors of publication: Tarushi, Alketa; Totta, Xanthippi; Raptopoulou, Catherine P.; Psycharis, Vassilis; Psomas, George; Kessissoglou, Dimitris P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 7082 - 7091
• a: 10.4238 ± 0.0002 Å
• b: 10.7481 ± 0.0002 Å
• c: 15.398 ± 0.0003 Å
• α: 102.937 ± 0.001°
• β: 99.004 ± 0.001°
• γ: 92.532 ± 0.001°
• Cell volume: 1654.99 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No