Crystallography Open Database

Information card for entry 4313930

Preview

Coordinates	4313930.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium perchlorate
Chemical name	Lithium perchlorate
Formula	Cl Li O4
Calculated formula	Cl Li O4
SMILES	[O-]Cl(=O)(=O)=O.[Li+]
Title of publication	Crystals from Concentrated Glyme Mixtures. The Single-Crystal Structure of LiClO4
Authors of publication	Wesley A. Henderson; Neil R. Brooks
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4522 - 4524
a	8.6447 ± 0.0012 Å
b	6.8512 ± 0.001 Å
c	4.8254 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	285.79 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4313930.cif
179207	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/39.	4313930.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4313930.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313930.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313930.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4313930.cif
7002	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313930 via cif-deposit CGI script.	4313930.cif