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Information card for entry 4349791
Preview
| Coordinates | 4349791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C59 H88 Eu4 N12 O30 |
|---|---|
| Calculated formula | C59 H88 Eu4 N12 O30 |
| SMILES | [Eu]123456(Oc7ccc(cc7C=[N]5N=C5[O]1[Eu]1789([O]([Eu]%10%11%12%13%14(Oc%15ccc(cc%15C=[N]%13N=C%13[O]%10[Eu]%10%15%16([O]3c3ccc(cc3C=[N]%16N=C([O]%11%10)C(=[N]%14O)C)C)(OC(=CC(=[O]%15)C)C)([O]4C(=O)[O]8%12)[N](=C%13C)O)C)([OH2])[OH]C)c3ccc(cc3C=[N]9N=C([O]21)C(=[N]6O)C)C)([O]=C(C)C=C(O7)C)[N](=C5C)O)C)([OH2])[OH]C.OC.O.O.O.OC.O.O |
| Title of publication | Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere |
| Authors of publication | Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | 394 |
| a | 16.1944 ± 0.0013 Å |
| b | 22.2882 ± 0.0017 Å |
| c | 21.5409 ± 0.0018 Å |
| α | 90° |
| β | 103.346 ± 0.002° |
| γ | 90° |
| Cell volume | 7565.1 ± 1.1 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349791.cif |
| 235837 | 2019-11-24 | cif/ Adding structures of 4349791, 4349792, 4349793, 4349794 via cif-deposit CGI script. |
4349791.cif |
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Users of the data should acknowledge the original authors of the
structural data.