Information card for entry 4119636

Structure parameters

• Common name: 1
• Formula: C16 H32 Cl7 O4 W3
• Calculated formula: C16 H32 Cl7 O4 W3
• SMILES: [W]1234([W]56([W]1([Cl]25)([Cl]6)([Cl]4)(Cl)[O]1CCCC1)([Cl]3)(Cl)[O]1CCCC1)(Cl)[O]1CCCC1.O1CCCC1
• Title of publication: Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)
• Authors of publication: Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5986 - 5989
• a: 16.077 ± 0.017 Å
• b: 12.478 ± 0.013 Å
• c: 28.12 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5641 ± 10 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.3048
• Weighted residual factors for all reflections included in the refinement: 0.3467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No