Information card for entry 4339576

Structure parameters

• Common name: [W6S8(T-PPh2)6], C6H6
• Chemical name: [W6S8(T-PPh2)6](C6H6)
• Formula: C102 H84 P6 S14 W6
• Calculated formula: C102 H84 P6 S14 W6
• Title of publication: [W6S8] octahedral tungsten clusters functionalized with thiophene derivatives: toward polymerizable building blocks.
• Authors of publication: Perruchas, Sandrine; Flores, Samuel; Jousselme, Bruno; Lobkovsky, Emil; Abruña, Hector; Disalvo, Francis J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8976 - 8987
• a: 14.0505 ± 0.0006 Å
• b: 14.4887 ± 0.0007 Å
• c: 15.7381 ± 0.0007 Å
• α: 63.254 ± 0.001°
• β: 66.009 ± 0.001°
• γ: 63.83 ± 0.001°
• Cell volume: 2479.7 ± 0.2 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: 0.0658
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No