Information card for entry 7135099

Structure parameters

• Formula: C88 H168 Cu8 Si8
• Calculated formula: C88 H168 Cu8 Si8
• Title of publication: Base-mediated alkynyl-cubane to Cu₈-alkynide cluster transformation.
• Authors of publication: Gupta, Arvind Kumar; Fayet, Océane Y O; Tian, Lei; Berger, Raphael J. F.; Lomoth, Reiner; Orthaber, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 94
• Pages of publication: 18673 - 18676
• a: 14.9963 ± 0.0011 Å
• b: 22.5357 ± 0.0016 Å
• c: 30.877 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10434.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2178
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No