Information card for entry 7021998

Structure parameters

• Formula: C77.65 H99.85 Cu2 F24 N24.55 O7.55 P4
• Calculated formula: C73 H89 Cu2 F24 N23 O6 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: 13.0571 ± 0.0011 Å
• b: 14.5591 ± 0.0012 Å
• c: 24.932 ± 0.002 Å
• α: 88.774 ± 0.003°
• β: 86.565 ± 0.003°
• γ: 81.906 ± 0.003°
• Cell volume: 4683.5 ± 0.7 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No