Information card for entry 7012154

Structure parameters

• Chemical name: [Cu2(C44H56O2N4)2(BF4)][BF4]3.1.5MeOH.1.5(Et2O).625H2O
• Formula: C95.5 H134 B4 Cu2 F16 N8 O7.63
• Calculated formula: C95.5 H134 B4 Cu2 F16 N8 O7.625
• Title of publication: Transport of metal salts; encapsulation of anions in dinuclear Cu(ii) complexes [Cu2L2SO4]SO4 and [Cu2L2BF4](BF4)3, where L = 2,2???-[1,6-hexanediylbis[(methylimino)methylene]]bis[4-tert-butyl-6-(phenylazomethinyl)phenol]
• Authors of publication: Plieger, Paul G.; Parsons, Simon; Parkin, Andy; Tasker, Peter A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3928
• a: 13.636 ± 0.003 Å
• b: 18.598 ± 0.004 Å
• c: 22.746 ± 0.005 Å
• α: 90.04 ± 0.003°
• β: 106.749 ± 0.003°
• γ: 101.869 ± 0.003°
• Cell volume: 5395 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1437
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.3075
• Weighted residual factors for all reflections included in the refinement: 0.328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No