Information card for entry 2229076

Structure parameters

• Chemical name: (Dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)zinc dipicrate dimethyl sulfoxide solvate monohydrate
• Formula: C18 H28 N12 O17 S4 Zn
• Calculated formula: C18 H28 N12 O17 S4 Zn
• Title of publication: (Dimethyl sulfoxide-κ<i>O</i>)bis(thiosemicarbazide-κ^2^<i>N</i>^1^,<i>S</i>)zinc dipicrate dimethyl sulfoxide solvate monohydrate
• Authors of publication: Shanthakumari, R.; Hema, Ramu; Ramamurthy, K.; Sridar, Balasubramnian; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m133 - m134
• a: 10.8762 ± 0.0011 Å
• b: 11.2559 ± 0.0012 Å
• c: 14.4859 ± 0.0015 Å
• α: 81.124 ± 0.002°
• β: 77.063 ± 0.002°
• γ: 81.168 ± 0.002°
• Cell volume: 1694.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes