Information card for entry 2203976

Structure parameters

• Formula: Cl18 K4 Ta6
• Calculated formula: Cl18 K4 Ta6
• SMILES: [Ta]123([Cl][Ta]45([Cl][Ta]6([Cl]1)(Cl)[Cl][Ta]1([Cl][Ta]([Cl]2)([Cl][Ta]([Cl]1)([Cl]6)([Cl]3)Cl)([Cl]5)Cl)([Cl]4)Cl)Cl)Cl.[K+].[K+].[K+].[K+]
• Title of publication: Tetrapotassium dodeca-μ-chloro-hexachloro-<i>octahedro</i>-hexatantalate, K~4~[Ta~6~Cl~12~]Cl~6~
• Authors of publication: Jongen, Liesbet; Meyer, Gerd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: i100 - i101
• a: 9.99 ± 0.0012 Å
• b: 16.5228 ± 0.0018 Å
• c: 9.4745 ± 0.001 Å
• α: 90°
• β: 115.005 ± 0.008°
• γ: 90°
• Cell volume: 1417.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes