Information card for entry 2108606

Structure parameters

• Formula: C52 H32 N8 O8 S2 Zn2
• Calculated formula: C52 H32 N8 O8 S2 Zn2
• Title of publication: A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks
• Authors of publication: Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 7.8461 ± 0.0013 Å
• b: 20.359 ± 0.003 Å
• c: 29.189 ± 0.005 Å
• α: 90°
• β: 94.612 ± 0.003°
• γ: 90°
• Cell volume: 4647.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes