Information card for entry 7112468

Structure parameters

• Formula: C58 H55 B2 Cl4 Cu2 F8 N4 P3
• Calculated formula: C58 H55 B2 Cl4 Cu2 F8 N4 P3
• SMILES: c12cccc(C)[n]1[Cu]13[n]4c(cccc4C)[P](c4ccccc4)(c4ccccc4)[Cu]3([N]#CC)([P]2(c2ccccc2)c2ccccc2)[P](c2cccc(C)[n]12)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: A stable and strongly luminescent dinuclear Cu(I) helical complex prepared from 2-diphenylphosphino-6-methylpyridine.
• Authors of publication: Cid, Juan-José; Mohanraj, John; Mohankumar, Meera; Holler, Michel; Accorsi, Gianluca; Brelot, Lydia; Nierengarten, Iwona; Moudam, Omar; Kaeser, Adrien; Delavaux-Nicot, Béatrice; Armaroli, Nicola; Nierengarten, Jean-François
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 859 - 861
• a: 20.8139 ± 0.0005 Å
• b: 12.7855 ± 0.0004 Å
• c: 21.9411 ± 0.0005 Å
• α: 90°
• β: 94.614 ± 0.002°
• γ: 90°
• Cell volume: 5820 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108780
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No