Crystallography Open Database

Information card for entry 1534575

Preview

Coordinates	1534575.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Na13 (H3 Cu4 (H2 O)2 (Cu W9 O34)2) (H2 O)42
Formula	Cu6 H91 Na13 O112 W18
Calculated formula	Cu6 Na13 O112 W18
SMILES	[Na+].O.O.O.[Na+].O.[Na+].O.O.O=[W]1234=[O][Cu]5678[O]9[W]%10%11(O[W]%12%13(O[W]%14%15%16(=O)O[W]%17%18(=O)(O[W]%19%20%21([O]%22%18[W](O%17)(O3)(=O)(=[O][Cu]3%17([O]%18[W]%23%24%25(O[W]%26%27%28(O[W]%29%30%31(=O)O[W]%32%33(=O)(O[W]%34%35%36([O]%37%33[W]%33(O%32)(O[W]%32(O%27)([O]%23%28[Cu]%37([O]%23%31[W](O%29)(O%25)(=O)([O]53)O[W]%23(O%30)(O%36)(=O)=[O]6)[O]38[Cu]9([O]=%33)([O]=%35)([O]5[W]6(O%14)([O]8%16[W](O%15)(O%21)(O6)(=O)=[O][Cu]%1835([O]=%32)[O]7%17[Cu]%228[O]2%10%13)(O%11)=O)[OH2])(=O)O%24)(=O)O%34)=O)O%26)=O)=O)([O]=%20)[OH2])O%19)=O)O%12)(=O)O1)(O4)=O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O
Title of publication	Syntheses and X-ray characterization of novel (M4 (H2 O)2 (X W9 O34)2)(n-) (M = Cu(II), X = Cu(II) and M = Fe(III), X = Fe(III)) polytungstates
Authors of publication	Limanski, E.M.; Piepenbrink, M.; Droste, E.; Burgemeister, K.; Krebs, B.
Journal of publication	Journal of Cluster Science
Year of publication	2002
Journal volume	13
Pages of publication	369 - 379
a	13.054 ± 0.003 Å
b	17.729 ± 0.004 Å
c	20.998 ± 0.004 Å
α	90°
β	93.5 ± 0.03°
γ	90°
Cell volume	4850.6 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177094 (current)	2016-03-01	cif/1/53/45/ Adding precisions of lattice constants for entries 1534575 and 1534579.	1534575.cif
177093	2016-03-01	cif/1/53/45/ Adding DOIs for entries 1534575 and 1534579.	1534575.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.	1534575.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1534575.cif
161411	2015-10-09	cif/ Adding structures of 1534575 via cif-deposit CGI script.	1534575.cif