Information card for entry 1561442

Structure parameters

• Formula: C30 H45 Al Cu2
• Calculated formula: C30 H45 Al1.001 Cu2.002
• Title of publication: Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.
• Authors of publication: Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 6588 - 6599
• a: 10.6817 ± 0.0008 Å
• b: 10.6837 ± 0.0008 Å
• c: 15.0961 ± 0.0012 Å
• α: 75.703 ± 0.002°
• β: 72.18 ± 0.002°
• γ: 60.202 ± 0.002°
• Cell volume: 1413.85 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0405
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No