Information card for entry 7106559

Structure parameters

• Formula: C21 H25 N4 O10 Zn2
• Calculated formula: C21 H16 N4 O10 Zn2
• Title of publication: A zinc(II) metal-organic framework based on triazole and dicarboxylate ligands for selective adsorption of hexane isomers
• Authors of publication: Yun Ling,; Zhen-Xia Chen; Fu-Peng Zhai; Ya-Ming Zhou; Lin-Hong Weng; Dong-Yuan Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7197
• a: 21.222 ± 0.019 Å
• b: 17.716 ± 0.016 Å
• c: 14.376 ± 0.013 Å
• α: 90°
• β: 127.821 ± 0.009°
• γ: 90°
• Cell volume: 4270 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No