Information card for entry 7010998

Structure parameters

• Formula: C28 H28 Cl P S4 W
• Calculated formula: C28 H24 Cl P S4 W
• Title of publication: Reactions of tetrathiotungstate and tetrathiomolybdate with substituted haloalkanes
• Authors of publication: Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2573
• a: 9.806 ± 0.01 Å
• b: 13.56 ± 0.02 Å
• c: 22.78 ± 0.01 Å
• α: 90°
• β: 97.54 ± 0.06°
• γ: 90°
• Cell volume: 3003 ± 6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 3.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No