Information card for entry 4318663

Structure parameters

• Formula: C18 H15 N4 O3 S4 V
• Calculated formula: C18 H15 N4 O3 S4 V
• SMILES: [V]123(SC(SC)=N[N]2=Cc2c(O1)cccc2)(=O)Oc1ccccc1c1sc(SC)n[n]31
• Title of publication: Oxovanadium(V) and Cobalt(III) Complexes of Dithiocarbazate-Based Schiff Base Ligands: Formation of a Thiadiazole Ring by Vanadium-Induced Cyclization of the Coordinated Ligand
• Authors of publication: Subodh Kanti Dutta; Satyabrata Samanta; Dipesh Ghosh; Ray J. Butcher; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5555 - 5560
• a: 9.183 ± 0.0009 Å
• b: 9.4165 ± 0.0012 Å
• c: 12.7005 ± 0.0015 Å
• α: 100.988 ± 0.008°
• β: 100.195 ± 0.007°
• γ: 78.774 ± 0.008°
• Cell volume: 1046.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No