Information card for entry 7128899

Structure parameters

• Formula: C70 H60 Cl5 Cu4 N4 O4 P4
• Calculated formula: C70 H60 Cl5 Cu4 N4 O4 P4
• SMILES: [Cu]12345[Cu]67([Cl]2)[P](c2[n]([Cu]891([Cu]([H]569)([Cl]8)([P](c1ccccc1)(c1ccccc1)c1[n]7cccc1)[n]1c([P]3(c3ccccc3)c3ccccc3)cccc1)[P](c1ccccc1)(c1ccccc1)c1[n]4cccc1)cccc2)(c1ccccc1)c1ccccc1.ClCCCl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Novel ultrabright luminescent copper nanoclusters and application in light-emitting devices.
• Authors of publication: Huang, Qiu-Qin; Hu, Mei-Yue; Li, Yan-Li; Chen, Nan-Nan; Li, Yi; Wei, Qiao-Hua; Fu, FengFu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 77
• Pages of publication: 9890 - 9893
• a: 14.0903 ± 0.0005 Å
• b: 14.7705 ± 0.0004 Å
• c: 17.8312 ± 0.0007 Å
• α: 72.082 ± 0.003°
• β: 84.734 ± 0.003°
• γ: 88.356 ± 0.003°
• Cell volume: 3516.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No