Information card for entry 2017853

Structure parameters

• Common name: tungsten chloride cluster
• Chemical name: bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate
• Formula: C32 H72 Cl14 N2 W6
• Calculated formula: C32 H72 Cl14 N2 W6
• Title of publication: A low-temperature phase of bis(tetrabutylammonium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexatungstate
• Authors of publication: Johnston, Dean H.; Brown, Chris M.; Yu, Andrew S.; Gallucci, Judith C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m303 - m306
• a: 22.3152 ± 0.0002 Å
• b: 11.722 ± 0.0001 Å
• c: 22.2786 ± 0.0001 Å
• α: 90°
• β: 112.415 ± 0.001°
• γ: 90°
• Cell volume: 5387.31 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes