Crystallography Open Database

Information card for entry 4103092

Preview

Coordinates	4103092.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	U24Py12
Formula	Na8 O180 P24 U24
Calculated formula	Na8 O180 P24 U24
SMILES	[O]12[U]3456(OP7(=O)OP(=O)(O3)O[U]389([O]%10[O]3[U]3%11%12%10([O]%10[U]%13%14%15(=O)([O]%16[O]%13[U]%13%17%16([O]8[O]9%13)(=O)(=O)OP8(O[U]9%13%16([O]%18[U]%19%20%21([O]%22[U]%23%24%25(OP%26(O[U]%27%28%29(=O)([O]%30[O]%27[U]%27%31%32%30(=O)([O]%30[U]%33%34%35(=O)([O]%36[O]%33[U]%33%37%36([O]%28[O]%29%33)(=O)(=O)OP%28(=O)O[U]%29%33([O]%36[U]%381(=O)(O)(OP(=O)(OP(=O)(O%19)O%38)O%21)([O]%29%36)[O]26)(OP(=O)(O%28)O%37)(=O)([O]1[U]26(=O)([O]4[O]52)(OP2(=O)OP(=O)(O[U]45%19(=O)([O]%21[U]%28%29([O]%36[U]%37%38(=O)([O]%39[O]%37[U]%37%40%39(OP(=O)(OP(=O)(O%37)O%11)O%12)(=O)([O]5[O]%19%40)=O)(=O)(OP5(=O)O[U]%11%12%19([O]%37[O]%19[U]%19%39%37(OP(O%15)(OP(=O)(O%19)O%14)=O)(=O)([O]%14[U]%15%19(=O)([O]%37[U]%40%41([O]%11[O]%12%40)(OP(O%31)(OP(O%27)(O%41)=O)=O)(=O)([O]%15%37)=O)([O]%39%14)(OP%11(O[U]%12%14(=O)([O]%24[O]%25%12)(OP(O%19)(=O)O%11)(=O)[O]%13[O]%16%14)=O)=O)=O)(=O)(=O)OP(=O)(O5)O%38)[O]%29%36)(OP(=O)(OP(=O)(O%28)O%34)O%35)(=O)([O]4%21)=O)(=O)O2)O6)(=O)[O]%331)=O)(=O)[O]%32%30)=O)(=O)OP(=O)(O%23)O%26)=O)(=O)(=O)[O]%20%22)(=O)(=O)[O]9%18)(OP(O%17)(O8)=O)(=O)=O)=O)(=O)[O]3%10)(=O)=O)(=O)(=O)O7)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Title of publication	Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters
Authors of publication	Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13395 - 13402
a	22.746 ± 0.002 Å
b	22.746 ± 0.002 Å
c	30.426 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	15742 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178776 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/30.	4103092.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 {}'	4103092.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103092.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103092.cif
26047	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103092 via cif-deposit CGI script.	4103092.cif