Information card for entry 4339579

Structure parameters

• Common name: [W6S8(2T-PEt2)6]
• Chemical name: [W6S8(2T-PEt2)6]
• Formula: C72 H90 P6 S20 W6
• Calculated formula: C72 H90 P6 S20 W6
• SMILES: [P]([W]1234567[S]8[W]9%10%11%12%134([P](c4ccc(c%14cccs%14)s4)(CC)CC)[S]1[W]14%14%156%12([P](c6ccc(c%12cccs%12)s6)(CC)CC)[S]6[W]%12%16%17%11%14([P](c%11ccc(c%14cccs%14)s%11)(CC)CC)([S]%11[W]%145%156%16([P](c5ccc(c6cccs6)s5)(CC)CC)([S]2[W]78%13%17%11%14([P](c2ccc(c5cccs5)s2)(CC)CC)[S]%10%12)[S]34)[S]91)(CC)(c1ccc(c2cccs2)s1)CC
• 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: 11.5202 ± 0.001 Å
• b: 14.0861 ± 0.0012 Å
• c: 15.7759 ± 0.0014 Å
• α: 69.288 ± 0.004°
• β: 68.914 ± 0.004°
• γ: 71.871 ± 0.003°
• Cell volume: 2184.1 ± 0.3 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: 0.0681
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No