Information card for entry 7228046

Structure parameters

• Formula: C21 H12 N4 O7 Zn2
• Calculated formula: C21 H12 N4 O7 Zn2
• Title of publication: Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism
• Authors of publication: Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 18.7994 ± 0.0007 Å
• b: 13.0415 ± 0.0008 Å
• c: 16.9882 ± 0.001 Å
• α: 90°
• β: 93.823 ± 0.005°
• γ: 90°
• Cell volume: 4155.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 2/c 1 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No