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Information card for entry 4300733
Preview
Coordinates | 4300733.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Au(PhTm)(PEt3)] |
---|---|
Formula | C24 H35 Au B N6 P S3 |
Calculated formula | C24 H35 Au B N6 P S3 |
SMILES | S=C1N(C=CN1[B](c1ccccc1)(N1C(=S)N(C)C=C1)N1C=CN(C)C1=[S][Au][P](CC)(CC)CC)C |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
a | 13.927 ± 0.0004 Å |
b | 14.4549 ± 0.0004 Å |
c | 14.5183 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2922.72 ± 0.13 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4300733.cif |
120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4300733.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300733.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4300733.cif |
907 | 2009-11-23 | cif/ Correcting unquoted string values starting with '['. The list of such COD entries was obtained from the PyCifRW parser error log: grep === ~/tests/pycifrw/all-cod-parse-errors.log \ | awk '{print $2}' \ | xargs perl -i -lpe "s/^(\s*)_(.*)(\s+)\[(.*)\$/\$1_\$2\$3'[\$4'/" The resulting entries were checked with 'vcif', 'cif_filter' (uses our CIFParser) and PyCifRW: svn st | grep ^M | awk '{print $NF}' | sort | xargs -n1 vcif -l 2048 svn st | grep ^M | awk '{print $NF}' | sort | xargs -n1 cif_filter > /dev/null svn st $(pwd) \ | grep ^M \ | awk '{print $NF}' \ | sort \ | xargs -n1 -iX sh -c 'cd ~/tests/pycifrw/; set -x; ./cif_reader.py X' No errors were found. |
4300733.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300733.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300733.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300733.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300733.cif |
All data in the COD and the database itself are dedicated to the
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CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.