Information card for entry 7720530

Structure parameters

• Formula: C56 H68 Cu2 F24 N16 O8 P4
• Calculated formula: C56 H68 Cu2 F24 N16 O8 P4
• 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: 8.791 ± 0.002 Å
• b: 12.004 ± 0.003 Å
• c: 17.853 ± 0.004 Å
• α: 74.326 ± 0.015°
• β: 76.798 ± 0.014°
• γ: 87.66 ± 0.014°
• Cell volume: 1765.5 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No