Information card for entry 7231999

Structure parameters

• Formula: C20 H20 Mn N4 O2 S4
• Calculated formula: C20 H20 Mn N4 O2 S4
• 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: 7.7764 ± 0.001 Å
• b: 24.056 ± 0.003 Å
• c: 12.1308 ± 0.0015 Å
• α: 90°
• β: 104.462 ± 0.002°
• γ: 90°
• Cell volume: 2197.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No