Information card for entry 4500902

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: 9.7545 ± 0.0011 Å
• b: 12.9941 ± 0.0014 Å
• c: 30.452 ± 0.003 Å
• α: 88.183 ± 0.008°
• β: 80.838 ± 0.009°
• γ: 89.875 ± 0.009°
• Cell volume: 3808.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1442
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No