Information card for entry 7712193

Structure parameters

• Formula: C116 H251 Cu27 N12 O2 S24
• Calculated formula: C108 H231 Cu27 N12 S24
• Title of publication: Unusual core engineering on a copper hydride nanoball.
• Authors of publication: Silalahi, Rhone P Brocha; Liao, Jian-Hong; Tseng, Yu-Fang; Chiu, Tzu-Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 2106 - 2114
• a: 26.758 ± 0.002 Å
• b: 26.758 ± 0.002 Å
• c: 29.967 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21456 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No