Information card for entry 1568432

Structure parameters

• Formula: C188 H320 Al4 Cu4 N16 Si8
• Calculated formula: C188 H320 Al4 Cu4 N16 Si8
• Title of publication: Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.
• Authors of publication: Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2866 - 2876
• a: 16.2074 ± 0.0003 Å
• b: 12.7848 ± 0.0002 Å
• c: 24.4265 ± 0.0005 Å
• α: 90°
• β: 100.576 ± 0.002°
• γ: 90°
• Cell volume: 4975.39 ± 0.16 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No