Information card for entry 2207223

Structure parameters

• Chemical name: Ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate
• Formula: C10 H8 N4 S4
• Calculated formula: C10 H8 N4 S4
• SMILES: S(CC(=C(CSC#N)CSC#N)CSC#N)C#N
• Title of publication: Ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate
• Authors of publication: Ustabaş, Reşat; Sancak, Kemal; Er, Mustafa; Ünver, Yasemin; Çoruh, Ufuk; Vázquez-López, Ezequiel M.; Yavuz, Metin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3529 - o3531
• a: 11.5149 ± 0.0014 Å
• b: 8.6821 ± 0.001 Å
• c: 14.1549 ± 0.0017 Å
• α: 90°
• β: 108.2 ± 0.002°
• γ: 90°
• Cell volume: 1344.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes