Crystallography Open Database

Information card for entry 1011115

Preview

Coordinates	1011115.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ammonium oxalate monohydrate
Mineral name	Oxammite
Formula	C2 H10 N2 O5
Calculated formula	C2 H10 N2 O5
Title of publication	Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group
Authors of publication	Hendriks, S B; Jefferson, M E
Journal of publication	Journal of Chemical Physics
Year of publication	1936
Journal volume	4
Pages of publication	102 - 107
a	8.04 Å
b	10.27 Å
c	3.82 Å
α	90°
β	90°
γ	90°
Cell volume	315.4 Å³
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.08
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200452 (current)	2017-09-11	cif/1/ Removing dummy H atoms since the hydrogen atoms they represent are already marked using the _atom_site_attached_hydrogens data item.	1011115.cif
200450	2017-09-11	cif/1/01/11/ Correcting the _chemical_formula_sum data item value in entry 1011115 by changing it from 'H10 N2 O5' to 'C2 H10 N2 O5'.	1011115.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1011115.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1011115.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B\|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ \| cif_filter --add-cif-header $C \ \| sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013)	1011115.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1011115.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.	1011115.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/'	1011115.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1011115.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.	1011115.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)	1011115.cif