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Information card for entry 7215032
Preview
| Coordinates | 7215032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 Cu2 N4 O16 |
|---|---|
| Calculated formula | C20 H18 Cu2 N4 O16 |
| SMILES | [N]12[Cu]3([OH2])OC4c5c(C(=O)N[N]=4[Cu]3(OC=1c1c(C(=O)N2)cc(c(c1)C(=O)O)C(=O)O)[OH2])cc(c(c5)C(=O)O)C(=O)O.O.O |
| Title of publication | A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties |
| Authors of publication | Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 4719 |
| a | 6.6226 ± 0.0013 Å |
| b | 9.657 ± 0.0019 Å |
| c | 9.752 ± 0.002 Å |
| α | 95.92 ± 0.03° |
| β | 108.9 ± 0.03° |
| γ | 94.26 ± 0.03° |
| Cell volume | 583.1 ± 0.2 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 | 0.0689 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215032.cif |
| 180481 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50. |
7215032.cif |
| 111018 | 2014-04-20 | cif/ Adding structures of 7215031, 7215032, 7215033, 7215034 via cif-deposit CGI script. |
7215032.cif |
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Users of the data should acknowledge the original authors of the
structural data.