Information card for entry 4133376

Structure parameters

• Formula: C90.5 H110 Al2 N4 O8 W
• Calculated formula: C90.5 H110 Al2 N4 O8 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: 27.7428 ± 0.0006 Å
• b: 12.2385 ± 0.0002 Å
• c: 25.2788 ± 0.0005 Å
• α: 90°
• β: 102.219 ± 0.002°
• γ: 90°
• Cell volume: 8388.5 ± 0.3 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173.05 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No