Crystallography Open Database

Information card for entry 4331940

4331939 << 4331940 >> 4331941

Preview

Coordinates	4331940.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cesium uranyl copper phosphate
Formula	Cs3.14 Cu O27 P5 U3
Calculated formula	Cs6.276 Cu2 O54 P10 U6
Title of publication	General Route to Three-Dimensional Framework Uranyl Transition Metal Phosphates with Atypical Structural Motifs: The Case Examples of Cs2{(UO2)4[Co(H2O)2]2(HPO4)(PO4)4} and Cs3+x[(UO2)3CuH4-x(PO4)5]·H2O
Authors of publication	Shvareva, Tatiana Y.; Albrecht-Schmitt, Thomas E.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	1900 - 1902
a	7.5867 ± 0.0004 Å
b	19.9574 ± 0.001 Å
c	17.9726 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2721.2 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179422 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19.	4331940.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 {}'	4331940.cif
97989	2014-01-29	cif/ Adding structures of 4331939, 4331940 via cif-deposit CGI script.	4331940.cif