Information card for entry 7720533

Structure parameters

• Formula: C78 H86 B2 Cu2 F20 N28 O6 P2
• Calculated formula: C78 H86 B2 Cu2 F20 N28 O6 P2
• Title of publication: Discrete and polymeric supramolecular complexes assembled from Cu²⁺ and isomeric xylylenebis(pyridyltriazoles).
• Authors of publication: Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1259 - 1273
• a: 12.6125 ± 0.0008 Å
• b: 13.4244 ± 0.0009 Å
• c: 15.4304 ± 0.001 Å
• α: 93.867 ± 0.003°
• β: 106.12 ± 0.003°
• γ: 114.674 ± 0.003°
• Cell volume: 2229.9 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No