Information card for entry 2101820

Structure parameters

• Formula: C9 H19 N3 O4 S
• Calculated formula: C9 H7 N3 O4 S
• Title of publication: Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid
• Authors of publication: Li, Q.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 252 - 261
• a: 6.269 ± 0.002 Å
• b: 8.118 ± 0.004 Å
• c: 14.562 ± 0.008 Å
• α: 104.79 ± 0.04°
• β: 91.72 ± 0.04°
• γ: 101.3 ± 0.04°
• Cell volume: 700.1 ± 0.6 ų
• Cell temperature: 291 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 significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for significantly intense reflections: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No