Information card for entry 4518388

Structure parameters

• Formula: C240 H200 Cu23 P8 Se16
• Calculated formula: C240 H200 Cu23 P8 Se16
• Title of publication: [Cu23(PhSe)16(Ph3P)8(H)6]·BF4: Atomic-Level Insights into Cuboidal Polyhydrido Copper Nanoclusters and Their Quasi-simple Cubic Self-Assembly
• Authors of publication: Huang, Ren-Wu; Yin, Jun; Dong, Chunwei; Maity, Partha; Hedhili, Mohamed Nejib; Nematulloev, Saidkhodzha; Alamer, Badriah; Ghosh, Atanu; Mohammed, Omar F.; Bakr, Osman M.
• Journal of publication: ACS Materials Letters
• Year of publication: 2020
• Pages of publication: 90 - 99
• a: 23.5776 ± 0.0009 Å
• b: 45.6755 ± 0.0017 Å
• c: 25.9902 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27989.3 ± 1.8 ų
• Cell temperature: 107 ± 2 K
• Ambient diffraction temperature: 106.99 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.2741
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No