Information card for entry 7135098

Structure parameters

• Formula: C44 H88 Cl4 Cu4 Si4
• Calculated formula: C44 H88 Cl4 Cu4 Si4
• 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: 7.4937 ± 0.0008 Å
• b: 13.8967 ± 0.0018 Å
• c: 27.206 ± 0.003 Å
• α: 100.646 ± 0.007°
• β: 91.838 ± 0.006°
• γ: 91.599 ± 0.006°
• Cell volume: 2781.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No