Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7205727
Preview
| Coordinates | 7205727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 Ho2 O17 |
|---|---|
| Calculated formula | C15 H16 Ho2 O17 |
| Title of publication | A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands |
| Authors of publication | Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3884 |
| a | 18.7825 ± 0.0018 Å |
| b | 7.7434 ± 0.0008 Å |
| c | 14.6995 ± 0.0014 Å |
| α | 90° |
| β | 113.777 ± 0.001° |
| γ | 90° |
| Cell volume | 1956.4 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180388 (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 7/20/57. |
7205727.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 {}' |
7205727.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205727.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205727.cif |
| 20998 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205722, 7205723, 7205724, 7205725, 7205726, 7205727, 7205728, 7205729, 7205730, 7205731, 7205732, 7205733 via cif-deposit CGI script. |
7205727.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.