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Information card for entry 7208084
Preview
| Coordinates | 7208084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H45 F18 N4 O12 Pr |
|---|---|
| Calculated formula | C51 H45 F18 N4 O12 Pr |
| SMILES | [Pr]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc4c(c1)ccc(OC)c4)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc2cc(ccc2c1)OC |
| Title of publication | A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties |
| Authors of publication | Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 4706 |
| a | 12.388 ± 0.003 Å |
| b | 14.306 ± 0.003 Å |
| c | 19.221 ± 0.004 Å |
| α | 100.93 ± 0.03° |
| β | 103.76 ± 0.03° |
| γ | 111.6 ± 0.03° |
| Cell volume | 2927.8 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180411 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/80. |
7208084.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208084.cif |
| 62787 | 2012-07-09 | cif/ Adding structures of 7208078, 7208079, 7208080, 7208081, 7208082, 7208083, 7208084, 7208085 via cif-deposit CGI script. |
7208084.cif |
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Users of the data should acknowledge the original authors of the
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