Information card for entry 7217817
| Formula |
C50 H40 Cu2 N4 O16 |
| 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
