Information card for entry 1004001

Structure parameters

• Common name: Tungsten sulfide cluster with tri-n-
• Chemical name: octakis(mu!3$-sulfido)-hexakis(tri-n-butylphosphine)-hexa-tungsten
• Formula: C72 H162 P6 S8 W6
• Calculated formula: C72 H162 P6 S8 W6
• Title of publication: Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds
• Authors of publication: Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2666 - 2674
• a: 24.6648 ± 0.0012 Å
• b: 19.8619 ± 0.0009 Å
• c: 20.1365 ± 0.001 Å
• α: 90°
• β: 103.324 ± 0.001°
• γ: 90°
• Cell volume: 9599.1 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No