Information card for entry 7130783

Structure parameters

• Chemical name: Zn(purine)Br
• Formula: C10 H6 Br2 N8 Zn2
• Calculated formula: C10 H6 Br2 N8 Zn2
• Title of publication: Unblocking A Rigid Purine MOF for Kinetic Separation of Xylenes
• Authors of publication: Lyndon, Richelle; Wang, Yuxiang; Walton, Ian; Ma, Yao; Liu, Yang; Yu, Zhenzi; Zhu, Guanghui; Berens, Samuel; Chen, Yu-Sheng; Wang, SuYin G.; Vasenkov, Sergey; Sholl, David S.; Walton, Krista; Pang, Simon H.; Lively, Ryan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.8144 ± 0.0007 Å
• b: 10.197 ± 0.0005 Å
• c: 13.8537 ± 0.0007 Å
• α: 90°
• β: 91.326 ± 0.001°
• γ: 90°
• Cell volume: 1950.98 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No