Information card for entry 7720536

Structure parameters

• Formula: C60.2 H71.8 Cu2 N25.4 O15.4
• Calculated formula: C50 H48 Cu2 N22 O12
• 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: 12.2967 ± 0.0016 Å
• b: 12.4835 ± 0.0015 Å
• c: 14.044 ± 0.0018 Å
• α: 108.711 ± 0.007°
• β: 114.045 ± 0.008°
• γ: 98.653 ± 0.008°
• Cell volume: 1763.5 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2985
• Weighted residual factors for all reflections included in the refinement: 0.3227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No