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Information card for entry 7223544
Preview
Coordinates | 7223544.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H36 N4 O13 Zn |
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Calculated formula | C54 H36 N4 O13 Zn |
SMILES | [Zn]123([O]=C(O1)c1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)O)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.OC(=O)c1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)[O-].O |
Title of publication | Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks |
Authors of publication | Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 5 |
Pages of publication | 765 |
a | 11.8801 ± 0.0011 Å |
b | 13.7323 ± 0.0017 Å |
c | 13.9872 ± 0.0019 Å |
α | 84.567 ± 0.011° |
β | 79.104 ± 0.009° |
γ | 79.225 ± 0.009° |
Cell volume | 2197.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1717 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1885 |
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 |
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The link is: https://www.crystallography.net/7223544.html
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Users of the data should acknowledge the original authors of the
structural data.