Crystallography Open Database

Information card for entry 2104833

Preview

Coordinates	2104833.cif
Original IUCr paper	HTML

Structure parameters

Common name	Magnesium perchlorate dihydrate
Formula	Cl2 H4 Mg O10
Calculated formula	Cl2 H4 Mg O10
Title of publication	Determination of the crystal structure of magnesium perchlorate hydrates by X-ray powder diffraction and the charge-flipping method
Authors of publication	Robertson, Kevin; Bish, David
Journal of publication	Acta Crystallographica Section B
Year of publication	2010
Journal volume	66
Journal issue	6
Pages of publication	579 - 584
a	14.38776 ± 0.00064 Å
b	5.21861 ± 0.00019 Å
c	5.43805 ± 0.00025 Å
α	90°
β	108.199 ± 0.0021°
γ	90°
Cell volume	387.89 ± 0.03 Å³
Cell temperature	423 K
Ambient diffraction temperature	423 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor R(I) for significantly intense reflections	0.036
Goodness-of-fit parameter for all reflections	6.23
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2104833.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104833.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).	2104833.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)	2104833.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2104833.cif
5909	2011-01-07	../uploads/cif-deposit/cod/cif Adding structures of 2104831, 2104832, 2104833, 2104834, 2104835, 2104836, 2104837, 2104838, 2104839, 2104840 via cif-deposit CGI script.	2104833.cif