Information card for entry 4500901

Structure parameters

• Chemical name: propoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)
• Formula: C18 H20 N3 O4 S V
• Calculated formula: C18 H20 N3 O4 S V
• Title of publication: Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality
• Authors of publication: Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5227
• a: 12.3684 ± 0.0003 Å
• b: 15.9862 ± 0.0004 Å
• c: 19.1848 ± 0.0005 Å
• α: 90°
• β: 97.975 ± 0.002°
• γ: 90°
• Cell volume: 3756.6 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No