Information card for entry 7012153

Structure parameters

• Formula: C88 H116 Cu2 N8 O12 S2
• Calculated formula: C88 H116 Cu2 N8 O12 S2
• 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: 16.98 ± 0.003 Å
• b: 25.614 ± 0.005 Å
• c: 48.948 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21289 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2916
• Weighted residual factors for all reflections included in the refinement: 0.3198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No