Information card for entry 1515584

Structure parameters

• Formula: C92 H84 B2 Cl4 Cu4 F8 N10 P4
• Calculated formula: C92 H84 B2 Cl4 Cu4 F8 N10 P4
• SMILES: [Cu]123[Cu]45([Cu]678[Cu]([P](C[P]6(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c9nc(cc(c9ccc6N7c6[n]5c5[n]3c(cc(c5cc6)C)C)C)C)[n]3c5[n]8c(N4c4[n]2c2nc(cc(c2cc4)C)C)ccc5c(cc3C)C)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement
• Authors of publication: Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1509
• a: 12.238 ± 0.002 Å
• b: 18.531 ± 0.003 Å
• c: 20.929 ± 0.003 Å
• α: 90°
• β: 103.246 ± 0.003°
• γ: 90°
• Cell volume: 4620.1 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No