Information card for entry 1004000

Structure parameters

• Common name: Tungsten sulfide cluster with
• Chemical name: octakis(mu!3$-sulfido)-hexakis(methylamine)-hexa-tungsten
• Formula: C6 H30 N6 S8 W6
• Calculated formula: C6 H30 N6 S8 W6
• SMILES: C[NH2][W]124[S]5[W]67([NH2]C)[S]3[W]85([NH2]C)[S]2[W]25([NH2]C)[S]9[W]3([NH2]C)([S]85)[S]7[W]9([S]16)([NH2]C)[S]42
• 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: 9.0847 ± 0.0005 Å
• b: 9.1602 ± 0.0005 Å
• c: 9.566 ± 0.0005 Å
• α: 103.732 ± 0.001°
• β: 116.622 ± 0.001°
• γ: 106.265 ± 0.001°
• Cell volume: 619.1 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No