Information card for entry 7123871

Structure parameters

• Formula: C160 H146 Cu4 N48 O33
• Calculated formula: C160 H146 Cu4 N45 O24
• Title of publication: Unexpected linkage isomerism in chiral tetranuclear bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) grids
• Authors of publication: Hegarty, Isabel; Dalton, Hannah L.; Henwood, Adam; Hawes, Chris Samuel; Gunnlaugsson, Thorfinnur
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.6571 ± 0.0007 Å
• b: 23.6571 ± 0.0007 Å
• c: 31.1834 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17452.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No