Information card for entry 4133378

Structure parameters

• Formula: C79 H94 Al2 N4 O10 W
• Calculated formula: C78.994 H93.994 Al2 N4 O10 W
• Title of publication: Carbon Chain Growth by Sequential Reactions of CO and CO₂ with [W(CO)₆] and an Aluminum(I) Reductant.
• Authors of publication: Kong, Richard Y.; Crimmin, Mark R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13614 - 13617
• a: 17.8441 ± 0.0009 Å
• b: 19.0576 ± 0.0005 Å
• c: 22.2871 ± 0.0008 Å
• α: 90°
• β: 92.815 ± 0.004°
• γ: 90°
• Cell volume: 7569.9 ± 0.5 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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 all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No