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Information card for entry 7222471
Preview
| Coordinates | 7222471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 Co N2 O14 |
|---|---|
| Calculated formula | C28 H20 Co N2 O14 |
| SMILES | O1[Co]2([n]3c(C1=O)ccc(c3)c1c(ccc(c1)C(=O)O)C(=O)O)([n]1c(C(=O)O2)ccc(c1)c1c(ccc(c1)C(=O)O)C(=O)O)([OH2])[OH2] |
| Title of publication | A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties |
| Authors of publication | Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 16.9118 ± 0.0011 Å |
| b | 6.8877 ± 0.0006 Å |
| c | 11.8438 ± 0.001 Å |
| α | 90° |
| β | 105.872 ± 0.009° |
| γ | 90° |
| Cell volume | 1327.01 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222471.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222471.cif |
| 161214 | 2015-10-09 | cif/ Adding structures of 7222469, 7222470, 7222471, 7222472, 7222473, 7222474 via cif-deposit CGI script. |
7222471.cif |
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Users of the data should acknowledge the original authors of the
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