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Information card for entry 7712449
Preview
Coordinates | 7712449.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H30 N Ni O P S |
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Calculated formula | C21 H30 N Ni O P S |
SMILES | [P]1(Oc2c3c(C[N](C)(C)[Ni]13Sc1ccccc1)ccc2)(C(C)C)C(C)C |
Title of publication | Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides |
Authors of publication | Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y. |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
Journal volume | 52 |
Journal issue | 9 |
Pages of publication | 2872 - 2886 |
a | 9.1019 ± 0.0004 Å |
b | 9.5253 ± 0.0004 Å |
c | 13.2196 ± 0.0005 Å |
α | 109.051 ± 0.001° |
β | 94.18 ± 0.001° |
γ | 102.817 ± 0.001° |
Cell volume | 1043.14 ± 0.08 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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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 |
7712449.cif |
281197 | 2023-03-01 | cif/ Adding structures of 7712446, 7712447, 7712448, 7712449, 7712450, 7712451, 7712452 via cif-deposit CGI script. |
7712449.cif |
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Users of the data should acknowledge the original authors of the
structural data.