Information card for entry 1512966

Structure parameters

• Formula: C14 H26 N12 O14 Zn
• Calculated formula: C14 H24 N12 O14 Zn
• SMILES: [Zn]1234([N](O)=C(N)c5[n]1c(ccc5)C(N)=[N]2O)[N](O)=C(N)c1[n]3c(ccc1)C(N)=[N]4O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation
• Authors of publication: Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 396
• Pages of publication: 49 - 59
• a: 7.0635 ± 0.0001 Å
• b: 7.0866 ± 0.0001 Å
• c: 50.7469 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.2 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No