Information card for entry 1561399

Structure parameters

• Chemical name: Hexaaquadodeca-μ~2~-iodido-hexatantalum diiodide tetrahydrate
• Formula: H20 I14 O10 Ta6
• Calculated formula: H20 I14 O10 Ta6
• SMILES: [I]1[Ta]234567([I][Ta]89%10%11%124([I][Ta]4%13%1458([I]2)([I][Ta]2586%14([I]3)([I][Ta]3%11%135([I]4)([I][Ta]17%1283([I]2)([I]%10)[OH2])([I]9)[OH2])[OH2])[OH2])[OH2])[OH2].[I-].O.O.[I-].O.O
• Title of publication: Hexaaquadodeca-μ2-iodido-octahedro-hexatantalum diiodide tetrahydrate
• Authors of publication: Schröder, Florian; Köckerling, Martin
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 3
• a: 10.009 ± 0.002 Å
• b: 10.118 ± 0.002 Å
• c: 10.498 ± 0.002 Å
• α: 117.451 ± 0.004°
• β: 97.465 ± 0.004°
• γ: 96.344 ± 0.004°
• Cell volume: 917.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes