Information card for entry 7063818

Structure parameters

• Formula: C88 H178 Cu22 I6 N12 O Se26
• Calculated formula: C88 H178 Cu22 I6 N12 O Se26
• Title of publication: Chalcogenide-centered Cu11 clusters heteroleptically passivated by dichalcogenolates and iodo ligands
• Authors of publication: Brocha Silalahi, Rhone P.; Kuo, Yu-Te; Chiu, Tzu-Hao; Pillay, Michael N.; Liu, C. W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 9965 - 9972
• a: 13.6427 ± 0.0007 Å
• b: 24.2123 ± 0.0012 Å
• c: 24.7855 ± 0.0012 Å
• α: 100.98 ± 0.0011°
• β: 102.459 ± 0.0011°
• γ: 91.9866 ± 0.0012°
• Cell volume: 7823.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No