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Information card for entry 1513091
Preview
| Coordinates | 1513091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C72H60N6O6P6 Er |
|---|---|
| Formula | C72 H60 Er N3 O6 P6 |
| Calculated formula | C72 H60 Er N3 O6 P6 |
| SMILES | [Er]123([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(N=P(O3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study |
| Authors of publication | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2013 |
| Journal volume | 117 |
| Journal issue | 45 |
| Pages of publication | 23970 |
| a | 14.329 ± 0.0003 Å |
| b | 14.8267 ± 0.0004 Å |
| c | 17.7919 ± 0.0004 Å |
| α | 89.86 ± 0.001° |
| β | 76.118 ± 0.001° |
| γ | 62.792 ± 0.001° |
| Cell volume | 3238.21 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0587 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1513091.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
1513091.cif |
| 91685 | 2013-12-13 | cif/ Adding structures of 1513091 via cif-deposit CGI script. |
1513091.cif |
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