Information card for entry 7003080

Structure parameters

• Formula: C11 H13 N4 O8 V
• Calculated formula: C11 H9 N4 O7.9985 V
• Title of publication: Interpretation of the multiple vanadium-oxygen bonds in the central VO(η2-O2)+ group. Synthesis, structure, supramolecular interactions and DFT studies for complexes with 2,2′-bipyridine, 1,10-phenanthroline, pyrazinato(1‒) and pyrazinamide ligands
• Authors of publication: Pacigová, Silvia; Gyepes, Róbert; Tatiersky, Jozef; Sivák, Michal
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 121
• a: 7.016 ± 0.0006 Å
• b: 14.335 ± 0.0015 Å
• c: 15.269 ± 0.0012 Å
• α: 84.769 ± 0.005°
• β: 90.185 ± 0.006°
• γ: 83.266 ± 0.005°
• Cell volume: 1518.6 ± 0.2 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: 0.1584
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No