Information card for entry 4119638

Structure parameters

• Common name: 4a
• Formula: C26 H36 Cl4 N2 W
• Calculated formula: C26 H36 Cl4 N2 W
• SMILES: C1C=[N]([W]([N]=1c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C
• 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: 12.7024 ± 0.0017 Å
• b: 21.299 ± 0.003 Å
• c: 10.4913 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2838.4 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.3289
• Weighted residual factors for all reflections included in the refinement: 0.3509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.552
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No