Crystallography Open Database

Information card for entry 1009031

Preview

Coordinates	1009031.cif
Original paper (by DOI)	HTML
External links	AMCSD; ChemSpider

Structure parameters

Chemical name	Palladium oxide
Mineral name	Palladinite
Formula	O Pd
Calculated formula	O Pd
SMILES	[Pd+2].[O-2]
Title of publication	The structure of PdO Locality: synthetic
Authors of publication	Waser, J.; Levy, H. A.; Peterson, S. W.
Journal of publication	Acta Crystallographica
Year of publication	1953
Journal volume	6
Pages of publication	661 - 663
a	3.03 ± 0.01 Å
b	3.03 ± 0.01 Å
c	5.33 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	48.9 Å³
Number of distinct elements	2
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c (a,b+1/2,c)
Hall space group symbol	-P 4c 2 (x,y+1/2,z)
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287588 (current)	2023-11-14	cod/ (saulius@tasmanijos-velnias) Adding AMCSD links for those COD files that match exactly after corrections of symmetry information.	1009031.cif
287558	2023-11-12	cod/ (saulius@tasmanijos-velnias) Re-estimating space group symbols for those COD entries that have different space group symbols compared to the new AMCSD collection. IN most cases just the space group designators changed, but a few cases will have to be checked by hand. Command: tail -n +3 outputs/amcsd-cod-spacegroup-updates.tsv \| awk '{print $4}' \| xargs -i bash -c 'F=$(codid2file {}); echo === {} ===; cif_filter --add-cif-header $F --estimate-spacegroup $F \| sponge $F'	1009031.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1009031.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1009031.cif
85284	2013-05-05	cif/ (saulius@koala.ibt.lt) Removing the _amcsd_database_code from the series 1 CIFs, since the the assigments of AMCSD in COD are outdated.	1009031.cif
77586	2013-03-28	cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(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 $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013)	1009031.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1009031.cif
1213	2010-06-10	cif/ Adding _exptl_crystal_density_diffrn tag with value from AMCSD for those COD series 1-8 entries that did not have the tag before.	1009031.cif
1212	2010-06-10	cif/ Inserting AMCSD numbers for the automatically recognised series 1, 2, 4, 5 and 8 CIFs.	1009031.cif
1082	2010-04-11	cif/1/ Updating bibliography in the series 1 CIFs from the AMCSD-resynchronisation-2009.06.24/ directory: for i in outputs/redeposit/1*.cif ; \ do ( \ B=$(basename $i); \ C=~/struct/cod/cif/1/$B; \ echo === Updating $C ===; \ cif_filter --bibliography $i --add-cif-header $C $C > tmp; \ /bin/mv tmp $C \ ) done	1009031.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.	1009031.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/'	1009031.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1009031.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.	1009031.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)	1009031.cif