Information card for entry 7712386

Structure parameters

• Formula: C147.5 H152 Cu14 O5.5 P7 S3
• Calculated formula: C138 H142 Cu14 P7 S3
• Title of publication: Chiral copper-hydride nanoclusters: synthesis, structure, and assembly.
• Authors of publication: Wang, Lin; Yan, Xiaodan; Tian, Guolong; Xie, Zhenlang; Shi, Shanshan; Zhang, Yuhao; Li, Simin; Sun, Xueli; Sun, Jing; He, Jinlu; Shen, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 17.626 ± 0.0003 Å
• b: 17.626 ± 0.0003 Å
• c: 154.6133 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41599.2 ± 1.1 ų
• Cell temperature: 99.8 ± 0.9 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No