Information card for entry 7055886

Structure parameters

• Formula: C31 H26 N8 O4 Zn
• Calculated formula: C31 H26 N8 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)[n]1ccc(N)cc1.Cc1ccccc1
• 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: 10.5093 ± 0.0002 Å
• b: 11.7016 ± 0.0002 Å
• c: 12.5825 ± 0.0002 Å
• α: 81.159 ± 0.001°
• β: 86.783 ± 0.001°
• γ: 72.654 ± 0.001°
• Cell volume: 1459.34 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No