Information card for entry 7720529

Structure parameters

• Formula: C64.8 H65.2 Cl16 Cu2 N24.4
• Calculated formula: C48 H40 Cl16 Cu2 N16
• 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: 13.8729 ± 0.0013 Å
• b: 20.8932 ± 0.0019 Å
• c: 13.8843 ± 0.0013 Å
• α: 90°
• β: 111.861 ± 0.006°
• γ: 90°
• Cell volume: 3735 ± 0.6 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No