Crystallography Open Database

Information card for entry 5000106

Preview

Coordinates	5000106.cif

Structure parameters

Formula	C6 H3 N3 O7
Calculated formula	C6 H1.5 N3 O7
Title of publication	Picric acid: C~6~H~3~N~3~O~7~
Authors of publication	Duesler, E. N.; Engelmann, J. H.; Curtin, D. Y.; Paul, I. C.
Journal of publication	Crystal Structure Communications
Year of publication	1978
Journal volume	7
Pages of publication	449 - 453
a	9.254 ± 0.002 Å
b	19.127 ± 0.004 Å
c	9.704 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1717.62 Å³
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175295 (current)	2016-01-29	cif/5/ (antanas@kurmis) Updating bibliography for entries 5000106, 5000146.	5000106.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	5000106.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	5000106.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.	5000106.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/'	5000106.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	5000106.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.	5000106.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)	5000106.cif