Information card for entry 1502701

Structure parameters

• Common name: Thallium(I) propanoate
• Chemical name: Thallium(I) propionoate
• Formula: C3 H5 O2 Tl
• Calculated formula: C3 H5 O2 Tl
• Title of publication: Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.
• Authors of publication: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 31
• Pages of publication: 10075 - 10085
• a: 7.302 ± 0.0015 Å
• b: 10.636 ± 0.002 Å
• c: 21.028 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1633.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7513 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No