Information card for entry 2208193

Structure parameters

• Chemical name: tetrathallium diniobium undecaselenide
• Formula: Nb2 Se11 Tl4
• Calculated formula: Nb2 Se11 Tl4
• SMILES: [Tl+].[Tl+].[Tl+].[Tl+].[Se-][Nb]1345([Se][Nb]67([Se-])([Se][Se]16)([Se][Se]7)[Se]5[Se]3)[Se][Se]4
• Title of publication: Tl~4~Nb~2~Se~11~
• Authors of publication: Christoph L. Teske; Wolfgang Bensch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: i26 - i28
• a: 7.974 ± 0.004 Å
• b: 9.147 ± 0.005 Å
• c: 13.626 ± 0.007 Å
• α: 73.11 ± 0.04°
• β: 89.26 ± 0.04°
• γ: 85.76 ± 0.06°
• Cell volume: 948.3 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1609
• 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