Information card for entry 7055887

Structure parameters

• Formula: C19 H12 N6 O4 Zn
• Calculated formula: C19 H12 N6 O4 Zn
• SMILES: [Zn]12([n]3c(C(=O)O1)ccc(c3)C#N)([n]1c(C(=O)O2)ccc(c1)C#N)[n]1ccc(N)cc1
• Title of publication: Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study
• Authors of publication: Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 735
• a: 10.13 ± 0.0001 Å
• b: 11.4236 ± 0.0002 Å
• c: 17.9233 ± 0.0003 Å
• α: 90°
• β: 114.146 ± 0.001°
• γ: 90°
• Cell volume: 1892.63 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No