Information card for entry 4135126

Structure parameters

• Formula: C240 H264 Cl2 Cu32 P2 S24
• Calculated formula: C240 H264 Cl2 Cu32 P2 S24
• Title of publication: [Cu32(PET)24H8Cl2](PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core.
• Authors of publication: Lee, Sanghwa; Bootharaju, Megalamane S.; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 18.5763 ± 0.0007 Å
• b: 19.8786 ± 0.0008 Å
• c: 20.7652 ± 0.0007 Å
• α: 116.547 ± 0.004°
• β: 103.456 ± 0.003°
• γ: 104.134 ± 0.004°
• Cell volume: 6113.7 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2482
• Residual factor for significantly intense reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.4704
• Weighted residual factors for all reflections included in the refinement: 0.6203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No