Information card for entry 7720528

Structure parameters

• Formula: C37.75 H58.75 Cu F12 N13.25 O7.25 P2
• Calculated formula: C34 H50 Cu F12 N12 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: 8.964 ± 0.003 Å
• b: 13.137 ± 0.004 Å
• c: 14.005 ± 0.004 Å
• α: 115.408 ± 0.014°
• β: 97.499 ± 0.017°
• γ: 100.703 ± 0.014°
• Cell volume: 1422.2 ± 0.8 ų
• Cell temperature: 170 ± 0.5 K
• Ambient diffraction temperature: 170 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No