Information card for entry 7042832

Structure parameters

• Formula: C184 H168 Cl8 N48 O56 Zn4
• Calculated formula: C184 H168 Cl8 N48 O56 Zn4
• Title of publication: A folded [2× 2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand
• Authors of publication: Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 24.8871 ± 0.0008 Å
• b: 24.8871 ± 0.0008 Å
• c: 34.3819 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21295 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No