Information card for entry 7037267

Structure parameters

• Formula: K6 O2 Se6 Tl2
• Calculated formula: K6 O2 Se6 Tl2
• SMILES: [K+].[K+].[K+].O.[Se-][Tl]1([Se][Tl]([Se-])([Se]1)[Se-])[Se-].[K+].[K+].[K+].O
• 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: 7.6343 ± 0.0009 Å
• b: 8.3256 ± 0.001 Å
• c: 8.4777 ± 0.001 Å
• α: 94.535 ± 0.01°
• β: 103.25 ± 0.009°
• γ: 108.831 ± 0.009°
• Cell volume: 489.53 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No