Information card for entry 4348140

Structure parameters

• Formula: C35 H40 N8 O17 V4
• Calculated formula: C35 H40 N8 O17 V4
• SMILES: [V]123(=O)O[V]45(=O)(OC)OC6N[N]7[V](O[V]89(=O)(Oc%10c(C=[N]9[N]3=C(O8)N[N]2=Cc2c(O1)cccc2)cccc%10)OC)(=O)(Oc1ccccc1C=7)[N]=6[N]5=Cc1ccccc1O4.OC.OC.OC
• Title of publication: Vanadium(V) Complexes with Substituted 1,5-bis(2-hydroxybenzaldehyde)carbohydrazones and Their Use As Catalyst Precursors in Oxidation of Cyclohexane.
• Authors of publication: Dragancea, Diana; Talmaci, Natalia; Shova, Sergiu; Novitchi, Ghenadie; Darvasiová, Denisa; Rapta, Peter; Breza, Martin; Galanski, Markus; Kož\?íšek, Jozef; Martins, Nuno M. R.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9187 - 9203
• a: 12.283 ± 0.0004 Å
• b: 28.0101 ± 0.0008 Å
• c: 13.3793 ± 0.0004 Å
• α: 90°
• β: 111.917 ± 0.002°
• γ: 90°
• Cell volume: 4270.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1202
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No