Information card for entry 7720532

Structure parameters

• Formula: C52 H46 Cl12 Cu2 F24 N18 P4
• Calculated formula: C52 H46 Cl12 Cu2 F24 N18 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: 13.384 ± 0.002 Å
• b: 19.582 ± 0.003 Å
• c: 14.839 ± 0.002 Å
• α: 90°
• β: 101.339 ± 0.005°
• γ: 90°
• Cell volume: 3813.2 ± 1 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No