Crystallography Open Database

Information card for entry 4062239

Preview

Coordinates	4062239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 In2 N2 O2
Calculated formula	C20 H24 In N O
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	10.288 ± 0.001 Å
b	12.973 ± 0.002 Å
c	15.105 ± 0.002 Å
α	75.3 ± 0.01°
β	73.56 ± 0.01°
γ	83.82 ± 0.01°
Cell volume	1868.9 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	No
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.	4062239.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4062239.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4062239.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.	4062239.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.	4062239.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/'	4062239.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4062239.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.	4062239.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)	4062239.cif