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Information card for entry 7220242
Preview
| Coordinates | 7220242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H18 Cu N4 O14 |
|---|---|
| Calculated formula | C14 H18 Cu N4 O14 |
| SMILES | C1c2ccc(c[n]2[Cu]2([n]3c(C[OH]2)ccc(c3)C(=O)O)([OH]1)([OH2])[OH2])C(=O)O.O=N(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Isolation of first row transition metal–carboxylate zwitterions |
| Authors of publication | Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.256 ± 0.006 Å |
| b | 7.425 ± 0.006 Å |
| c | 9.897 ± 0.008 Å |
| α | 89.716 ± 0.017° |
| β | 77.622 ± 0.017° |
| γ | 86.15 ± 0.019° |
| Cell volume | 519.6 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| 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. |
7220242.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. |
7220242.cif |
| 135774 | 2015-05-08 | cif/ Adding structures of 7220236, 7220237, 7220238, 7220239, 7220240, 7220241, 7220242, 7220243, 7220244, 7220245, 7220246, 7220247, 7220248, 7220249, 7220250, 7220251, 7220252 via cif-deposit CGI script. |
7220242.cif |
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Users of the data should acknowledge the original authors of the
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