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Information card for entry 1506364
Preview
| Coordinates | 1506364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H41 N2 O6 Yb |
|---|---|
| Calculated formula | C57 H41 N2 O6 Yb |
| SMILES | [Yb]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)[n]1cccc2ccc3ccc[n]4c3c12 |
| Title of publication | Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. |
| Authors of publication | Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2005 |
| Journal volume | 109 |
| Journal issue | 13 |
| Pages of publication | 6174 - 6182 |
| a | 15.5804 ± 0.0016 Å |
| b | 17.0282 ± 0.0017 Å |
| c | 17.6621 ± 0.0018 Å |
| α | 90° |
| β | 91.779 ± 0.002° |
| γ | 90° |
| Cell volume | 4683.6 ± 0.8 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506364.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506364.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506364.cif |
| 50253 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506364 via cif-deposit CGI script. |
1506364.cif |
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