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Information card for entry 7217817
Preview
Coordinates | 7217817.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H40 Cu2 N4 O16 |
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Calculated formula | C50 H40 Cu2 N4 O16 |
SMILES | c12ccc(c(c1)c1cc(ccc1)C(=O)O)C(=O)O[Cu]1([n]3c(c4[n]1cccc4)cccc3)(OC(=O)c1ccc(c(c1)c1cc(ccc1)C(=O)O)C(=O)O[Cu]1([n]3c(c4[n]1cccc4)cccc3)(OC2=O)[OH2])[OH2].O.O |
Title of publication | Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate |
Authors of publication | Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 43 |
Pages of publication | 10006 |
a | 7.4683 ± 0.0001 Å |
b | 9.9602 ± 0.0002 Å |
c | 15.8627 ± 0.0003 Å |
α | 81.11 ± 0.001° |
β | 88.078 ± 0.001° |
γ | 69.099 ± 0.001° |
Cell volume | 1088.78 ± 0.03 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0395 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/7217817.html
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Users of the data should acknowledge the original authors of the
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