Information card for entry 7037269

Structure parameters

• Formula: K0.94 Se2 Tl1.06
• Calculated formula: K0.944 Se2 Tl1.056
• Title of publication: Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.
• Authors of publication: Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5958 - 5967
• a: 8.0075 ± 0.0012 Å
• b: 8.0075 ± 0.0012 Å
• c: 7.0104 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 449.51 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No