Information card for entry 4306580

Structure parameters

• Formula: C18 H28 N12 O9 V2
• Calculated formula: C18 H28 N12 O9 V2
• SMILES: [V]12(ON(c3[n]2c(nc(N2CCOCC2)n3)N(O1)C)C)(O[V]12(ON(c3nc(N4CCOCC4)nc(N(O1)C)[n]23)C)=O)=O
• Title of publication: Vanadium(V) Compounds with the Bis-(hydroxylamino)-1,3,5-triazine Ligand, H2bihyat: Synthetic, Structural, and Physical Studies of [V2VO3(bihyat)2] and of the Enhanced Hydrolytic Stability Species cis-[VVO2(bihyat)]-
• Authors of publication: Vladimiros A. Nikolakis; John T. Tsalavoutis; Marios Stylianou; Evgenios Evgeniou; Tamas Jakusch; Artem Melman; Michael P. Sigalas; Tamas Kiss; Anastasios D. Keramidas; Themistoklis A. Kabanos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11698 - 11710
• a: 10.684 ± 0.003 Å
• b: 10.8326 ± 0.0018 Å
• c: 12.759 ± 0.003 Å
• α: 76.914 ± 0.017°
• β: 69.12 ± 0.02°
• γ: 74.516 ± 0.018°
• Cell volume: 1315.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2874
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No