Information card for entry 7209989

Structure parameters

• Formula: C19 H13 N7 O8 Zn2
• Calculated formula: C19 H13 N7 O8 Zn2
• Title of publication: The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties
• Authors of publication: Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 5673
• a: 10.814 ± 0.0013 Å
• b: 10.814 ± 0.0013 Å
• c: 25.41 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No