Information card for entry 4340345

Structure parameters

• Formula: C25 H29 N5 O9 Zn
• Calculated formula: C22 H14 N4 O6 Zn
• Title of publication: Three N-H Functionalized Metal-Organic Frameworks with Selective CO2 Uptake, Dye Capture, and Catalysis.
• Authors of publication: Zhu, Yu; Wang, Yan-Mei; Zhao, Sheng-Yun; Liu, Pan; Wei, Chao; Wu, Yun-Long; Xia, Chang-Kun; Xie, Ji-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7692 - 7699
• a: 6.7566 ± 0.0014 Å
• b: 23.183 ± 0.005 Å
• c: 17.755 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.1 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.1572
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No