Crystallography Open Database

Information card for entry 7100099

Preview

Coordinates	7100099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 P2 Pt
Calculated formula	C42 H40 P2 Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(CCC=CCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A new route to metallacycloalkanes
Authors of publication	John Moss; Katja Dralle; Nastassia L. Jaffa; le Roex,Tanya; Akella Sivaramakrishna; Susan Travis; Nicholas D. Watermeyer
Journal of publication	Chemical Communications
Year of publication	2005
a	10.1405 ± 0.0001 Å
b	10.3988 ± 0.0002 Å
c	17.2796 ± 0.0003 Å
α	94.001 ± 0.001°
β	106.261 ± 0.001°
γ	103.161 ± 0.001°
Cell volume	1685.81 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	7100099.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100099.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100099.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	7100099.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.	7100099.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/'	7100099.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100099.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.	7100099.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)	7100099.cif