Information card for entry 4318434

Structure parameters

• Formula: C86 H153 Cl25 N4 Ta6
• Calculated formula: C85.99 H153 Cl24.997 N4 Ta6
• Title of publication: Gallium and Gallium Dichloride, New Solid-State Reductants in Preparative Transition Metal Chemistry. New, Lower Temperature Syntheses and Convenient Isolation of Hexatantalum Tetradecachloride Octahydrate, Ta6(μ-Cl)12Cl2(OH2)4.4H2O, and Synthesis and Solid-State Structure of a Tetraalkylammonium Derivative, [N(CH2Ph)Bu3]4[Ta6(μ-Cl)12Cl6], of the Reduced [Ta6(μ-Cl)12]2+ Cluster Core1
• Authors of publication: Daniel N. T. Hay; Dale C. Swenson; Louis Messerle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4700 - 4707
• a: 27.259 ± 0.006 Å
• b: 14.319 ± 0.003 Å
• c: 30.788 ± 0.006 Å
• α: 90°
• β: 106.26 ± 0.03°
• γ: 90°
• Cell volume: 11537 ± 5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No