Information card for entry 2101821

Structure parameters

• Formula: C22 H50 N6 O4 S2
• Calculated formula: C22 H48 N6 O4 S2
• 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: 11.34 ± 0.002 Å
• b: 9.293 ± 0.006 Å
• c: 14.619 ± 0.002 Å
• α: 90°
• β: 102.41 ± 0.01°
• γ: 90°
• Cell volume: 1504.6 ± 1 ų
• Cell temperature: 291 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No