Information card for entry 7232001

Structure parameters

• Formula: C11 H14 Mo N2 O4 S2
• Calculated formula: C11 H14 Mo N2 O4 S2
• 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: 10.0788 ± 0.0008 Å
• b: 9.8639 ± 0.0008 Å
• c: 14.4725 ± 0.0011 Å
• α: 90°
• β: 90.69 ± 0.001°
• γ: 90°
• Cell volume: 1438.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No