Information card for entry 7715866

Structure parameters

• Common name: [VO2(L3)]3.5H2O
• Chemical name: 4-hydroxy-3-[(2-isonicotinoylhydrazono)methyl]benzyl} triphenylphosphonium chloride vanadium (V) dioxido complex
• Formula: C32.5 H33 N3 O7.5 P V
• Calculated formula: C32.5 H29 N3 O7.5 P V
• SMILES: [P+](Cc1cc2c(O[V]3(OC(=N[N]3=C2)c2ccncc2)(=O)=O)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.OC.O.O
• Title of publication: Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.
• Authors of publication: Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8315 - 8327
• a: 14.3202 ± 0.0004 Å
• b: 15.0874 ± 0.0005 Å
• c: 16.8813 ± 0.0004 Å
• α: 114.387 ± 0.001°
• β: 94.147 ± 0.001°
• γ: 99.419 ± 0.001°
• Cell volume: 3237.12 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No