Information card for entry 7055883

Structure parameters

• Formula: C10 H10 N5 O6 V
• Calculated formula: C10 H10 N5 O6 V
• SMILES: [V]12([n]3c(C(=O)O1)cncc3)([n]1c(C(=O)O2)cncc1)(=O)=O.[NH4+]
• 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: 7.8991 ± 0.0001 Å
• b: 8.1586 ± 0.0001 Å
• c: 12.3149 ± 0.0002 Å
• α: 74.517 ± 0.001°
• β: 85.174 ± 0.001°
• γ: 64.596 ± 0.001°
• Cell volume: 690.463 ± 0.018 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: 0.0289
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No