Information card for entry 4321060

Structure parameters

• Chemical name: [WS2(OSiPh3)2(Me4phen)]
• Formula: C52 H46 N2 O2 S2 Si2 W
• Calculated formula: C52 H44 N2 O2 S2 Si2 W
• SMILES: O([W]1(=S)([n]2cc(c(c3c2c2c(c(c(c[n]12)C)C)cc3)C)C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=S)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Oxo/Sulfidotungstate(VI) as Precursors to WVIO2, WVIOS, and WVIS2 Complexes and WIV-Dithiolene Chelate Rings
• Authors of publication: Mingming Miao; Michael W. Willer; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2843 - 2849
• a: 16.9351 ± 0.0001 Å
• b: 10.4963 ± 0.0001 Å
• c: 26.8896 ± 0.0002 Å
• α: 90°
• β: 104.517 ± 0.001°
• γ: 90°
• Cell volume: 4627.18 ± 0.07 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No