Information card for entry 1564011

Structure parameters

• Formula: C48 H38 Cl2 N4 O8 Zn
• Calculated formula: C48 H38 Cl2 N4 O8 Zn
• SMILES: [Zn]12([O]=C(O1)Cc1c(n(C(=O)c3ccc(Cl)cc3)c3c1cc(OC)cc3)C)(OC(=O)Cc1c(n(C(=O)c3ccc(Cl)cc3)c3c1cc(OC)cc3)C)[n]1ccccc1c1[n]2cccc1
• Title of publication: Synthesis and structures of tetrahedral zinc(II) complexes bearing indomethacin and nitrogen donor ligands
• Authors of publication: Nnabuike, Ginikachukwu Grace; Salunke-Gawali, Sunita; Patil, Archana S.; Butcher, Ray J.; Obaleye, Joshua Ayoola
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119941
• a: 8.9428 ± 0.0007 Å
• b: 11.0258 ± 0.0009 Å
• c: 22.7888 ± 0.0019 Å
• α: 91.001 ± 0.003°
• β: 96.617 ± 0.002°
• γ: 107.629 ± 0.002°
• Cell volume: 2124 ± 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: 0.1093
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No