Crystallography Open Database

Information card for entry 4062240

Preview

Coordinates	4062240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 Li2 N2 O4
Calculated formula	C44 H60 Li2 N2 O4
Title of publication	Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
Authors of publication	Iravani, Effat; Neumüller, Bernhard
Journal of publication	Organometallics
Year of publication	2003
Journal volume	22
Journal issue	20
Pages of publication	4129 - 4135
a	13.79 ± 0.002 Å
b	15.279 ± 0.003 Å
c	22.582 ± 0.004 Å
α	100.32 ± 0.01°
β	107.05 ± 0.01°
γ	101.77 ± 0.01°
Cell volume	4306 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
192076 (current)	2017-02-14	cif/4/06/22/ (antanas@echidna.ibt.lt) Updating bibliography in entries 4062238, 4062239, 4062240, 4062241.	4062240.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4062240.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4062240.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.	4062240.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.	4062240.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/'	4062240.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4062240.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.	4062240.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)	4062240.cif