Information card for entry 7002748

Structure parameters

• Chemical name: μ-oxo-dioxobis[2-(5-phenylamino-[1,3,4]thiadiazol-2-yl)-phenolato]-dipropoxo-divanadium(V) propanol hemisolvate
• Formula: C35.5 H38 N6 O7.5 S2 V2
• Calculated formula: C35.5 H38 N6 O7.5 S2 V2
• Title of publication: Vanadium-induced formation of thiadiazole and thiazoline compounds. Mononuclear and dinuclear oxovanadium(v) complexes with open-chain and cyclized thiosemicarbazone ligands
• Authors of publication: Rubčić, Mirta; Milić, Dalibor; Horvat, Gordan; Đilović, Ivica; Galić, Nives; Tomišić, Vladislav; Cindrić, Marina
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9914 - 9923
• a: 13.4762 ± 0.0005 Å
• b: 17.2325 ± 0.0007 Å
• c: 17.0544 ± 0.0006 Å
• α: 90°
• β: 101.835 ± 0.004°
• γ: 90°
• Cell volume: 3876.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No