Information card for entry 7047093

Structure parameters

• Formula: C13 H9 F N4 S
• Calculated formula: C13 H9 F N4 S
• Title of publication: Synthesis, structure, solution behavior, reactivity and biological evaluation of oxidovanadium(iv/v) thiosemicarbazone complexes.
• Authors of publication: Saswati, ?; Adão, Pedro; Majumder, Sudarshana; Dash, Subhashree P.; Roy, Satabdi; Kuznetsov, Maxim L.; Costa Pessoa, João; Gomes, Clara S. B.; Hardikar, Manasi R.; Tiekink, Edward R. T.; Dinda, Rupam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11358 - 11374
• a: 10.8207 ± 0.0016 Å
• b: 17.65 ± 0.003 Å
• c: 13.3819 ± 0.0019 Å
• α: 90°
• β: 99.691 ± 0.005°
• γ: 90°
• Cell volume: 2519.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.2037
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.3049
• Weighted residual factors for all reflections included in the refinement: 0.3847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No