Information card for entry 7231997

Structure parameters

• Formula: C12 H16 Cl2 N2 O2 S3 Sn
• Calculated formula: C12 H16 Cl2 N2 O2 S3 Sn
• 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: 8.5293 ± 0.0004 Å
• b: 9.3173 ± 0.0005 Å
• c: 12.6067 ± 0.0006 Å
• α: 100.635 ± 0.001°
• β: 108.831 ± 0.001°
• γ: 94.334 ± 0.001°
• Cell volume: 922.06 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No