Information card for entry 7021997

Structure parameters

• Formula: C73 H91 Cu2 F24 N23 O8 P4
• Calculated formula: C73 H91 Cu2 F24 N23 O8 P4
• Title of publication: Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.
• Authors of publication: Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14064 - 14067
• a: 12.8788 ± 0.0014 Å
• b: 13.7253 ± 0.0014 Å
• c: 25.452 ± 0.003 Å
• α: 83.482 ± 0.007°
• β: 87.955 ± 0.008°
• γ: 88.596 ± 0.007°
• Cell volume: 4466.2 ± 0.9 ų
• Cell temperature: 95 ± 0.5 K
• Ambient diffraction temperature: 95 ± 0.5 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: 0.1474
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No