Information card for entry 7224547

Structure parameters

• Formula: C18 H12 N6 O4 Zn
• Calculated formula: C18 H12 N6 O4 Zn
• Title of publication: Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors
• Authors of publication: Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2579
• a: 17.342 ± 0.0003 Å
• b: 15.8773 ± 0.0002 Å
• c: 18.855 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5191.61 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No