Information card for entry 7118678

Structure parameters

• Formula: C48 Cu16 Se31 Sn6
• Calculated formula: C48 Cu16 Se31 Sn6
• Title of publication: A novel copper-rich open-framework chalcogenide constructed from octahedral Cu4Se6 and icosahedral Cu8Se13 nanoclusters.
• Authors of publication: Yang, Huajun; Wang, Le; Hu, Dandan; Lin, Jian; Luo, Li; Wang, Hongxiang; Wu, Tao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4140 - 4143
• a: 21.7015 ± 0.0012 Å
• b: 21.7015 ± 0.0012 Å
• c: 21.7015 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10220.4 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No