Crystallography Open Database

Information card for entry 1527426

Preview

Coordinates	1527426.cif

Structure parameters

Chemical name	Na8 (U W10 O36) (H2 O)30
Formula	H60 Na8 O66 U W10
Calculated formula	H60 Na8 O66 U W10
SMILES	[O]1234[W]567(O[W]892(O[W]24(O5)(O[W]41(=O)(O[W]3(O6)(=[O][U]135([O]=7)([O]=4)([O]=9)[O]=[W]467([O]9%10%11[W]%12%13(=O)(O[W]%10(O7)(=[O]1)(=O)O[W]%11(O6)(O[W]9(O4)(O%12)(=O)=[O]5)(O%13)=O)=[O]3)=O)(=O)O2)O8)=O)=O)=O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Determination and refinement of the crystal structure of sodium decatungstouranate(IV) Na8 (U W10 O36) (H2 O)30
Authors of publication	Golubev, A. M.; Spitsyn, V. I.; Muradyan, L. A.; Torchenkova, E. A.; Simonov, V. I.; Kazanskii, L. P.
Journal of publication	Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
Year of publication	1977
Journal volume	3
Pages of publication	920 - 925
a	18.139 Å
b	18.509 Å
c	18.602 Å
α	90°
β	90°
γ	96°
Cell volume	6211.12 Å³
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	B 1 1 2/b
Hall space group symbol	-B 2b
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189246 (current)	2016-12-19	cif/1 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	1527426.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1527426.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1527426.cif
149000	2015-07-13	cif/ Adding structures of 1527426 via cif-deposit CGI script.	1527426.cif