Information card for entry 7220667

Structure parameters

• Formula: C18 H9 Br N6 O5 Zn2
• Calculated formula: C18 H9 Br N6 O5 Zn2
• Title of publication: Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives
• Authors of publication: Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 61
• Pages of publication: 49606
• a: 16.279 ± 0.005 Å
• b: 6.82 ± 0.005 Å
• c: 23.711 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.97 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2555 ± 2 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: 0.0619
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No