Information card for entry 2014406

Structure parameters

• Chemical name: dimethyldithiocyanatotin(IV)
• Formula: C4 H6 N2 S2 Sn
• Calculated formula: C4 H6 N2 S2 Sn
• SMILES: C(=N[Sn](C)(C)N=C=S)=S
• Title of publication: Dimethyl- and diethyldithiocyanatotin(IV)
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m93 - m94
• a: 9.654 ± 0.002 Å
• b: 7.769 ± 0.002 Å
• c: 5.5692 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 417.7 ± 0.17 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0096
• Residual factor for significantly intense reflections: 0.009
• Weighted residual factors for significantly intense reflections: 0.0223
• Weighted residual factors for all reflections included in the refinement: 0.0224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No