Information card for entry 3000154

Structure parameters

• Common name: thiourea
• Formula: C H4 N2 S
• Authors of publication: Katrusiak, A.; Tomkowiak, H.
• Journal of publication: To be published in CGD
• a: 7.4881 ± 0.0009 Å
• b: 8.53 ± 0.008 Å
• c: 5.4464 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 347.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No