Information card for entry 1564503

Structure parameters

• Formula: C14 H17 N9 O7 Zn
• Calculated formula: C14 H17 N9 O7 Zn
• SMILES: [Zn]123(ON(=[O]1)=O)([n]1n(c(cc1C)C)c1[n]3c(n3[n]2c(cc3C)C)nc(OC)n1)ON(=O)=O
• Title of publication: Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine
• Authors of publication: Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119627
• a: 14.508 ± 0.0005 Å
• b: 8.4326 ± 0.0002 Å
• c: 16.2855 ± 0.0005 Å
• α: 90°
• β: 101.904 ± 0.001°
• γ: 90°
• Cell volume: 1949.52 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No