Information card for entry 7116279

Structure parameters

• Formula: C66 H62 B Cl6 Cu3 F4 P6
• Calculated formula: C66 H62 B Cl6 Cu3 F4 P6
• SMILES: [Cu]123[Cu]456([Cu]([Cl]4)([P](C[P]5(C[P]2(c2ccccc2)c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C[P]6(C[P]3(c2ccccc2)c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Cl]1.[B](F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.
• Authors of publication: Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 2893
• a: 12.4596 ± 0.0001 Å
• b: 27.6079 ± 0.0002 Å
• c: 20.0624 ± 0.0002 Å
• α: 90°
• β: 104.466 ± 0.001°
• γ: 90°
• Cell volume: 6682.34 ± 0.1 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No