Information card for entry 2225200

Structure parameters

• Chemical name: Ethylenediaminium hemioxalate thiocyanate
• Formula: C8 H20 N6 O4 S2
• Calculated formula: C8 H20 N6 O4 S2
• SMILES: C(=O)([O-])C(=O)[O-].C(#N)[S-].C(C[NH3+])[NH3+].C(#N)[S-].C(C[NH3+])[NH3+]
• Title of publication: Ethylenediaminium hemioxalate thiocyanate
• Authors of publication: Narimani, Leila; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o669
• a: 6.4044 ± 0.0019 Å
• b: 6.6199 ± 0.0019 Å
• c: 9.377 ± 0.003 Å
• α: 80.799 ± 0.005°
• β: 81.179 ± 0.005°
• γ: 74.452 ± 0.005°
• Cell volume: 375.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes