Information card for entry 7037268

Structure parameters

• Formula: C2 K10 O6 Se6 Tl2
• Calculated formula: C2 K10 O6 Se6 Tl2
• SMILES: C(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[Se-][Tl]1([Se][Tl]([Se-])([Se]1)[Se-])[Se-].O=C([O-])[O-].[K+].[K+].[K+].[K+]
• 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: 7.2063 ± 0.0007 Å
• b: 8.6457 ± 0.0008 Å
• c: 10.6249 ± 0.001 Å
• α: 70.12 ± 0.007°
• β: 88.516 ± 0.008°
• γ: 79.234 ± 0.008°
• Cell volume: 611.06 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No