Information card for entry 2101626

Structure parameters

• Formula: C5 H16 N4 O3 S
• Calculated formula: C5 H16 N4 O3 S
• Title of publication: Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions
• Authors of publication: Li, Q.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 989 - 998
• a: 15.72 ± 0.003 Å
• b: 8.218 ± 0.002 Å
• c: 8.709 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1125.1 ± 0.4 ų
• Cell temperature: 291 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No