Information card for entry 7128900

Structure parameters

• Formula: C71 H60 Cl6 Cu3 N4 O9 P4
• Calculated formula: C71 H60 Cl6 Cu3 N4 O9 P4
• SMILES: [Cu]12345[Cu]67([Cu]1([H]56)([n]1c([P]2(c2ccccc2)c2ccccc2)cccc1)[n]1c([P]7(c2ccccc2)c2ccccc2)cccc1)([P](c1ccccc1)(c1[n]4cccc1)c1ccccc1)[n]1c([P]3(c2ccccc2)c2ccccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl.OC.ClCCl
• 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: 49.294 ± 0.003 Å
• b: 12.7809 ± 0.0006 Å
• c: 23.0005 ± 0.0013 Å
• α: 90°
• β: 98.205 ± 0.004°
• γ: 90°
• Cell volume: 14342.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No