Information card for entry 2018695

Structure parameters

• Formula: Cl8 Nb2 O2 Te8
• Calculated formula: Cl8 Nb2 O2 Te8
• SMILES: [Te]1([Te][Te][Te]([Te]1)[Te][Te][Te][Te]1[Te][Te][Te][Te]1)[Te][Te][Te].[Nb](Cl)(Cl)(Cl)(Cl)O[Nb](Cl)(Cl)(Cl)(Cl)O[Nb](Cl)(Cl)(Cl)(Cl)O[Nb](Cl)(Cl)(Cl)(Cl)[O]
• Title of publication: [Te~8~][NbOCl~4~]~2~ containing an infinite chain-like {[Te‒Te‒Te‒(Te~5~)]^2+^}~<i>n~</i> polycation
• Authors of publication: Feldmann, Claus; Freudenmann, Dominic
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: i68 - i70
• a: 7.867 ± 0.0016 Å
• b: 12.049 ± 0.002 Å
• c: 12.481 ± 0.003 Å
• α: 80.85 ± 0.03°
• β: 82.17 ± 0.03°
• γ: 78.84 ± 0.03°
• Cell volume: 1139.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0854
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes