Information card for entry 1561443

Structure parameters

• Formula: C60 H90 Al6 Cu7.33
• Calculated formula: C60 H90 Al6 Cu7.328
• 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: 12.9999 ± 0.0009 Å
• b: 17.2545 ± 0.0013 Å
• c: 16.5285 ± 0.0017 Å
• α: 90°
• β: 97.741 ± 0.0016°
• γ: 90°
• Cell volume: 3673.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No