Information card for entry 1566015

Structure parameters

• Formula: C152 H136 N16 O16 Zn4
• Calculated formula: C152 H136 N16 O16 Zn4
• Title of publication: Steric control of mesocate and helicate formation: Bulky pyrrol-2-yl Schiff base complexes of Zn2+
• Authors of publication: Niklas, J.E.; Hiti, E.A.; Wilkinson, G.R.; Mayhugh, J.T.; Gorden, J.D.; Gorden, A.E.V.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120653
• a: 24.2528 ± 0.0002 Å
• b: 24.2528 ± 0.0002 Å
• c: 27.6148 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16243 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2964
• Weighted residual factors for all reflections included in the refinement: 0.3395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4752
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No