Crystallography Open Database

Information card for entry 7000776

Preview

Coordinates	7000776.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gallium terephthalate
Formula	?
Calculated formula	C64 H32 Ga8 O48
Title of publication	XRD and IR structural investigations of a particular breathing effect in the MOF-type gallium terephthalate MIL-53(Ga)
Authors of publication	Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Férey, Gérard; Elkaïm, Erik; Vimont, Alexandre
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	12
Pages of publication	2241 - 2249
a	19.7053 ± 0.00022 Å
b	15.16417 ± 0.00043 Å
c	6.681171 ± 0.000094 Å
α	90°
β	103.794 ± 0.00083°
γ	90°
Cell volume	1938.86 ± 0.07 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179685 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/07.	7000776.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000776.cif
77877	2013-03-29	cod/ (saulius@koala.ibt.lt) Removing mineral names from those crystal structures that do not actually describe minerals (e.g. synthetic entries; data source: file COD-minerals.xlsx from my 2012-08-24 15:47 e-mail).	7000776.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)	7000776.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000776.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000776.cif