Information card for entry 2000026

Structure parameters

• Formula: C84 H156 P6 S8 W6
• Calculated formula: C85 H155 P6 S8 W6
• Title of publication: The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters
• Authors of publication: Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Journal issue: 31
• Pages of publication: 9229 - 9240
• a: 15.0562 ± 0.001 Å
• b: 16.2762 ± 0.001 Å
• c: 20.488 ± 0.0013 Å
• α: 88.98 ± 0.002°
• β: 74.256 ± 0.002°
• γ: 78.297 ± 0.002°
• Cell volume: 4728.23 ų
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0498
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No