Information card for entry 2241581

Structure parameters

• Chemical name: Dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)zinc
• Formula: C8 H12 Cl2 N4 S4 Zn
• Calculated formula: C8 H12 Cl2 N4 S4 Zn
• SMILES: [Zn](Cl)(Cl)([N]#CN=C(SC)SC)[N]#CN=C(SC)SC
• Title of publication: Crystal structure of dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)zinc
• Authors of publication: Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 417 - 419
• a: 8.8574 ± 0.0005 Å
• b: 8.8833 ± 0.0006 Å
• c: 11.2391 ± 0.0007 Å
• α: 73.0839 ± 0.0016°
• β: 87.4301 ± 0.0016°
• γ: 79.9801 ± 0.0016°
• Cell volume: 833.14 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes