Information card for entry 1004003

Structure parameters

• Formula: C44 H90 F6 O2 P7 S8 W6
• Calculated formula: C44.04 H90 F5.96 O1.98 P7 S8 W6
• Title of publication: Synthesis and Characterization of Oxidized W6S8L6 Clusters
• Authors of publication: Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2660 - 2665
• a: 13.9117 ± 0.0001 Å
• b: 13.9117 ± 0.0001 Å
• c: 32.4106 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5432.23 ± 0.06 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.0755
• Goodness-of-fit parameter for all reflections: 2.052
• Goodness-of-fit parameter for significantly intense reflections: 2.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No