Information card for entry 4120151

Structure parameters

• Formula: C90 H114 N6 W
• Calculated formula: C90 H114 N6 W
• SMILES: [W](C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)C#[N]c1c(cccc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Generation of Powerful Tungsten Reductants by Visible Light Excitation
• Authors of publication: Wesley Sattler; Maraia E. Ener; James D. Blakemore; Aaron A. Rachford; Paul J. LaBeaume; James W. Thackeray; James F. Cameron; Jay R. Winkler; Harry B. Gray
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10614 - 10617
• a: 13.188 ± 0.0006 Å
• b: 13.2245 ± 0.0006 Å
• c: 13.4292 ± 0.0006 Å
• α: 69.655 ± 0.003°
• β: 72.573 ± 0.003°
• γ: 69.561 ± 0.003°
• Cell volume: 2015.04 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No