Information card for entry 7010999

Structure parameters

• Formula: C30 H31 O P S4 W
• Calculated formula: C30 H31 O P S4 W
• SMILES: [W](SCC1OCCCC1)(=S)(=S)=S.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.156 ± 0.006 Å
• b: 14.438 ± 0.003 Å
• c: 11.046 ± 0.004 Å
• α: 100.8 ± 0.02°
• β: 117.66 ± 0.03°
• γ: 85.52 ± 0.03°
• Cell volume: 1547.9 ± 1.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No