Information card for entry 4507190

Structure parameters

• Chemical name: thiourea hydrate
• Formula: C H5.33 N2 O0.67 S
• Calculated formula: C H5.33333 N2 O0.666667 S
• Title of publication: Pressure-Dependent Formation and Decomposition of Thiourea Hydrates
• Authors of publication: Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 121
• a: 7.968 ± 0.002 Å
• b: 8.5877 ± 0.0013 Å
• c: 16.554 ± 0.009 Å
• α: 90°
• β: 91.01 ± 0.04°
• γ: 90°
• Cell volume: 1132.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 950000 kPa
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No