Information card for entry 7232000

Structure parameters

• Formula: C12 H17 N2 O4 S2 V
• Calculated formula: C12 H17 N2 O4 S2 V
• Title of publication: Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies
• Authors of publication: Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 73
• Pages of publication: 41795
• a: 8.0281 ± 0.0017 Å
• b: 10.127 ± 0.002 Å
• c: 11.104 ± 0.002 Å
• α: 110.554 ± 0.003°
• β: 110.25 ± 0.003°
• γ: 94.785 ± 0.003°
• Cell volume: 771.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1311
• 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