Information card for entry 2243275

Structure parameters

• Chemical name: Poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]
• Formula: C3 H3 N4 O3 Tl
• Calculated formula: C3 H2 N4 O3 Tl
• Title of publication: Crystal structure of poly[(μ~3~-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]
• Authors of publication: Safyanova, Inna S.; Bondar, Oksana A.; Pavlishchuk, Anna V.; Omelchenko, Iryna V.; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 328 - 331
• a: 10.0731 ± 0.0004 Å
• b: 3.74576 ± 0.00018 Å
• c: 16.9805 ± 0.0006 Å
• α: 90°
• β: 95.808 ± 0.004°
• γ: 90°
• Cell volume: 637.41 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes