Information card for entry 2201300

Structure parameters

• Common name: Cadmium methylxanthate
• Formula: C4 H6 Cd O2 S4
• Calculated formula: C4 H6 Cd O2 S4
• SMILES: [Cd]123([S](C(=[S]3)OC)[Cd]45([S]2C(=[S]4)OC)[S]=C(S5)OC)[S]=C(S1)OC
• Title of publication: Bis(<i>O</i>-methyldithiocarbonato)cadmium(II)
• Authors of publication: Young Jr, Victor G.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m537 - m539
• a: 19.006 ± 0.002 Å
• b: 3.9728 ± 0.0003 Å
• c: 12.5126 ± 0.0014 Å
• α: 90°
• β: 107.993 ± 0.004°
• γ: 90°
• Cell volume: 898.58 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.56357 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes