Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016924
Preview
| Coordinates | 7016924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H57 Dy3 N6 O21 |
|---|---|
| Calculated formula | C85 H57 Dy3 N6 O21 |
| SMILES | [Dy]12345([n]6cccc7ccc8ccc[n]1c8c67)([O]=C(c1ccccc1O)O[Dy]1678([O]=C(c9ccccc9O)O3)([O]=C(c3ccccc3O5)[O]41)OC(c1ccccc1O)=[O][Dy]134([n]5cccc9ccc%10ccc[n]1c%10c59)([n]1cccc5ccc9ccc[n]3c9c15)([O]7C(c1ccccc1O4)=[O]6)[O]=C(c1ccccc1O)O8)[O]=C(c1ccccc1O)O2 |
| Title of publication | A luminescent linear trinuclear Dy(III) complex exhibiting slow magnetic relaxation of single ion origin. |
| Authors of publication | Liu, Chun-Sen; Du, Miao; Sañudo, E Carolina; Echeverria, Jorge; Hu, Min; Zhang, Qiang; Zhou, Li-Ming; Fang, Shao-Ming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 37 |
| Pages of publication | 9366 - 9369 |
| a | 14.2574 ± 0.0007 Å |
| b | 23.3393 ± 0.001 Å |
| c | 23.6971 ± 0.0014 Å |
| α | 90° |
| β | 103.294 ± 0.006° |
| γ | 90° |
| Cell volume | 7674.1 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179873 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/69. |
7016924.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7016924.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016924.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016924.cif |
| 28110 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016924 via cif-deposit CGI script. |
7016924.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.