Information card for entry 1529225

Structure parameters

• Mineral name: C4 H2 N2 O2 S Tl2
• Formula: C4 H2 N2 O2 S Tl2
• Calculated formula: C4 H2 N2 O2 S Tl2
• Title of publication: Crystal structure of catena-(2-thiobarbiturato) dithallium(I)
• Authors of publication: Golovnev, Nikolay; Molokeev, Maxim
• Journal of publication: Journal of Structural Chemistry
• Year of publication: 2014
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 125
• a: 15.10391 ± 0.00027 Å
• b: 12.80183 ± 0.0002 Å
• c: 3.864549 ± 0.000057 Å
• α: 90°
• β: 97.2028 ± 0.0014°
• γ: 90°
• Cell volume: 741.34 ± 0.02 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor R(I) for significantly intense reflections: 1.379
• Goodness-of-fit parameter for all reflections included in the refinement: 2.097
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No