Crystallography Open Database

Information card for entry 4314179

Preview

Coordinates	4314179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 N O9.5 Se2 U
Calculated formula	C4 H8.5 N O9.5 Se2 U
Title of publication	Do Secondary and Tertiary Ammonium Cations Act as Structure-Directing Agents in the Formation of Layered Uranyl Selenites?
Authors of publication	Philip M. Almond; Thomas E. Albrecht-Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5693 - 5698
a	13.0858 ± 0.0008 Å
b	17.555 ± 0.001 Å
c	10.5984 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2434.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0413
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4314179.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 {}'	4314179.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4314179.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314179.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' ) &	4314179.cif
7251	2011-01-14	../uploads/cif-deposit/cod/cif Adding structures of 4314179 via cif-deposit CGI script.	4314179.cif