Crystallography Open Database

Information card for entry 8100172

Preview

Coordinates	8100172.cif

Structure parameters

Formula	C38 H28 I2 N4 O6 Pb
Calculated formula	C38 H28 I2 N4 O6 Pb
SMILES	[Pb]123(OC(=[O]1)c1c(I)cccc1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.Ic1c(cccc1)C(=O)[O-].O.O
Title of publication	Crystal structure of bis(1,10-phenanthroline-N,N')(2-iodo-benzoato) lead(II) 2-iodo-benzoate dihydrate, [Pb(C~7~H~4~O~2~I)(C~12~H~8~N~2~)~2~] (C~7~H~4~O~2~I) · 2H~2~O
Authors of publication	Zhang, Bi-Song; Ying, Tao-Kai; Cheng, Cun-Gui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2004
Journal volume	219
Journal issue	4
Pages of publication	483 - 484
a	12.727 ± 0.003 Å
b	12.991 ± 0.003 Å
c	13.116 ± 0.003 Å
α	79.83 ± 0.03°
β	63.31 ± 0.03°
γ	78.33 ± 0.03°
Cell volume	1888.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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.	8100172.cif
107867	2014-03-22	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100172.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100172.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.	8100172.cif
23	2008-01-27	Removed characters with the high-bit set from all COD CIF files, using the following commands: ff \*.cif \ \| xargs -n1 perl -ne 'print $ARGV,"\n" and last if /[\177-\377]/' \ \| tee have-high-bit-chars.lst cat have-high-bit-chars.lst \ \| xargs -t -n1 -iI sh -c 'iconv -f latin1 I \ \| utf8-to-cif \ \| perl -pe "s//\\\\/g" \ \| fold -w 79 -s > I.tmp; mv I.tmp I' Afterwards, some file were corrected manually, to remove one remaining \177 character, and to fix single-quoted lines that became too long and were folded.	8100172.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/'	8100172.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100172.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.	8100172.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)	8100172.cif