Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2226574
Preview
| Coordinates | 2226574.cif |
|---|---|
| Structure factors | 2226574.hkl |
| Original IUCr paper | HTML |
| Common name | potassium bis(hfac)-bis(btfac)europium(III) |
|---|---|
| Chemical name | Potassium bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis(4,4,4-trifluoro-1- phenylbutane-1,3-dionato)europate(III) |
| Formula | C30 H14 Eu F18 K O8 |
| Calculated formula | C30 H14 Eu F18 K O8 |
| SMILES | C(C1=CC(C(F)(F)F)=[O][Eu]234([O]1)([O]=C(C(F)(F)F)C=C(c1ccccc1)O2)(OC(=CC(c1ccccc1)=[O]3)C(F)(F)F)[O]=C(C=C(C(F)(F)F)O4)C(F)(F)F)(F)(F)F.[K+] |
| Title of publication | Potassium bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato)europate(III) |
| Authors of publication | Stanley, Julie M.; Holliday, Bradley J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m799 - m800 |
| a | 11.737 ± 0.002 Å |
| b | 12.468 ± 0.002 Å |
| c | 13.788 ± 0.003 Å |
| α | 68.457 ± 0.008° |
| β | 71.791 ± 0.008° |
| γ | 71.726 ± 0.008° |
| Cell volume | 1737 ± 0.6 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 | 0.1093 |
| Residual factor for significantly intense reflections | 0.0964 |
| Weighted residual factors for significantly intense reflections | 0.1924 |
| Weighted residual factors for all reflections included in the refinement | 0.1969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.995 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181186 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/65. |
2226574.cif 2226574.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226574.cif 2226574.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226574.cif 2226574.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2226574.cif 2226574.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226574.cif 2226574.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226574.cif 2226574.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226574.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.