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Information card for entry 1568478
Preview
| Coordinates | 1568478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H138 N10 O6 Pd2 Yb2 |
|---|---|
| Calculated formula | C82 H106 N10 O2 Pd2 Yb2 |
| Title of publication | Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs |
| Authors of publication | Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2676 - 2685 |
| a | 14.758 ± 0.004 Å |
| b | 17.469 ± 0.005 Å |
| c | 20.212 ± 0.006 Å |
| α | 101.902 ± 0.007° |
| β | 102.431 ± 0.007° |
| γ | 113.691 ± 0.007° |
| Cell volume | 4403 ± 2 Å3 |
| Cell temperature | 149.99 K |
| Ambient diffraction temperature | 149.99 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 | 0.153 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282621 (current) | 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 |
1568478.cif |
| 282277 | 2023-04-04 | cif/ Updating files of 1568477, 1568478, 1568479, 1568480, 1568481, 1568482 Original log message: Adding full bibliography for 1568477--1568482.cif. |
1568478.cif |
| 281051 | 2023-02-21 | cif/ Adding structures of 1568477, 1568478, 1568479, 1568480, 1568481, 1568482 via cif-deposit CGI script. |
1568478.cif |
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Users of the data should acknowledge the original authors of the
structural data.