Information card for entry 4317913

Structure parameters

• Formula: C32 H38 N4 O3 S4 V
• Calculated formula: C32 H38 N4 O2.5 S4 V0.5
• Title of publication: Synthesis, Characterization, and Reactivity of Mononuclear O,N-Chelated Vanadium(IV) and -(III) Complexes of Methyl 2-Aminocyclopent-1-ene-1-dithiocarboxylate Based Ligand: Reporting an Example of Conformational Isomerism in the Solid State
• Authors of publication: Sudeep Bhattacharyya; Suman Mukhopadhyay; Satyabrata Samanta; Timothy J. R. Weakley; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2433 - 2440
• a: 9.259 ± 0.001 Å
• b: 9.259 ± 0.001 Å
• c: 39.194 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3360.1 ± 0.7 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.53
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No