Information card for entry 7131739

Structure parameters

• Chemical name: Cu58
• Formula: C270 H414 B Cu58 F4 P8 S36
• Calculated formula: C270 H414 B2 Cu58 F8 P8 S36
• Title of publication: Nested Keplerian architecture of [Cu58H20(SPr)36(PPh3)8]2+ nanocluster
• Authors of publication: Biswas, Sourav; Hossain, Sakiat; Kosaka, Taiga; Sakai, Jin; Arima, Daichi; Niihori, Yoshiki; Mitsui, Masaaki; Jiang, De-en; Das, Saikat; Wang, Song; Negishi, Yuichi
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 23.399 ± 0.0007 Å
• b: 23.399 ± 0.0007 Å
• c: 57.171 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27108 ± 2 ų
• Cell temperature: 90.15 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No