Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567996
Preview
| Coordinates | 1567996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Cl6 Fe6 N6 O38 Pd3 |
|---|---|
| Calculated formula | C42 H42 Cl6 Fe6 N6 O38 Pd3 |
| Title of publication | Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions. |
| Authors of publication | Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 179 - 185 |
| a | 22.1165 ± 0.0004 Å |
| b | 22.1165 ± 0.0004 Å |
| c | 22.1165 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10818.1 ± 0.3 Å3 |
| Cell temperature | 119.6 ± 0.8 K |
| Ambient diffraction temperature | 119.6 ± 0.8 K |
| Number of distinct elements | 7 |
| Space group number | 223 |
| Hermann-Mauguin space group symbol | P m -3 n |
| Hall space group symbol | -P 4n 2 3 |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283151 (current) | 2023-05-05 | cif/ Updating files of 1567996 Original log message: Adding full bibliography for 1567996.cif. |
1567996.cif |
| 282621 | 2023-04-13 | cod/ (saulius@tasmanijos-velnias) Fixing incorrectly parsed author names: codslave 'select file from data where authors like "%|%"' -NB | codid2file | xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; if ! [ -f $MRK ]; then ( set -x; crossref-get-biblio --doi $DOI > $MRK ) fi; head -v $MRK' codslave 'select file from data where authors like "%|%"' -NB | codid2file | xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; set -x; cif_filter --use-all-datablocks --biblio $MRK --fold-title --add-cif-header {} {} | sponge {}' Commands and program versions: saulius@tasmanijos-velnias restore-biblio/ $ type codslave codslave is aliased to `mysql -u cod_reader -h sql.crystallography.net cod -e' saulius@tasmanijos-velnias restore-biblio/ $ type codid2file codid2file is /home/saulius/scripts/codid2file saulius@tasmanijos-velnias restore-biblio/ $ type cif_filter cif_filter is hashed (/usr/bin/cif_filter) saulius@tasmanijos-velnias restore-biblio/ $ cif_filter --version cod-tools version 2.10 |
1567996.cif |
| 281338 | 2023-03-04 | cif/ Updating files of 1567996 Original log message: Adding full bibliography for 1567996.cif. |
1567996.cif |
| 279474 | 2022-11-23 | cif/ Adding structures of 1567996 via cif-deposit CGI script. |
1567996.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.