Information card for entry 1558838

Structure parameters

• Formula: C56 H74 Br6 N6 O14 Zn3
• Calculated formula: C56 H74 Br6 N6 O14 Zn3
• Title of publication: Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition
• Authors of publication: Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 36
• Pages of publication: 9818 - 9826
• a: 15.659 ± 0.003 Å
• b: 13.6267 ± 0.0018 Å
• c: 32.01 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6830.3 ± 1.6 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No