Information card for entry 2241441

Structure parameters

• Chemical name: Dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)cobalt(II)
• Formula: C8 H12 Cl2 Co N4 S4
• Calculated formula: C8 H12 Cl2 Co N4 S4
• SMILES: [Co](Cl)(Cl)([N]#CN=C(SC)SC)[N]#CN=C(SC)SC
• Title of publication: Crystal structure of dichloridobis(dimethyl <i>N</i>-cyanodithioiminocarbonate)cobalt(II)
• 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: 1
• Pages of publication: 66 - 68
• a: 8.8533 ± 0.001 Å
• b: 8.8722 ± 0.001 Å
• c: 11.2487 ± 0.0014 Å
• α: 72.823 ± 0.003°
• β: 87.281 ± 0.004°
• γ: 80.072 ± 0.003°
• Cell volume: 831.51 ± 0.17 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: 0.0397
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes