Crystallography Open Database

Information card for entry 1534085

Preview

Coordinates	1534085.cif

Structure parameters

Chemical name	Na9 (Na3 (Co (H2 O))3 (As W9 O33)2) (H2 O)44
Formula	As2 Co3 H94 Na12 O113 W18
Calculated formula	As2 Co3 Na12 O110 W18
SMILES	[Co]123([O]4[W]567([O]8[W]9%10([O]%11[Co]%12%13([O]%14[Na]%15%16%17%18([O]%19[W]%14(O[W]%14%20%21(O[W]%22(O[W]%23%24(=O)[O]%25[Na]%26%27%28([OH2])([OH2])([O]%24[Co]%24([O]%15[W]%19(O%14)(=O)O%23)([O]%27[W]%14%15([O]%28[W]%19%23([O]2%26)(O[W]2%26%27(O[W]%28%29(O[W]%30(=O)([O]2[Na]48%11([OH2])([OH2])([O]%13%30)[O]3%27)O[W]2(O[W](O%28)(O[W]([O]%16%24)(O%14)([O]%172)=O)(O[W](O%19)(O%29)(O%15)=O)(O[As](O%26)O%23)=O)(=O)[O]%12%18)=O)=O)=O)=O)[OH2])[O]1[W]%25(O5)(O%22)(=O)O[As](O%21)O7)(O[W](O%20)(O6)(O%10)=O)=O)=O)(O9)=O)([OH2])([OH2])[OH2])[OH2])=O)=O)[OH2].O.O.O.O.[Na+].O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.[Na+].[Na+].O.O.O.O.[Na+].O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.[Na+]
Title of publication	Synthesis and crystal structure of heteropolytungstate Na9 (Na3 (Co (H2 O))3 (As W9 O33)2) * 44(H2 O)
Authors of publication	Xue Ganglin; Liu Bin; WangWenliang; Wang Hulin; Li Hengxin
Journal of publication	Xian Shiyou Xueyuan Xuebao, Ziran Kexue
Year of publication	2002
Journal volume	17
Pages of publication	66 - 73
a	14.083 Å
b	23.241 Å
c	32.197 Å
α	90°
β	98.995°
γ	90°
Cell volume	10408.6 Å³
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	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.	1534085.cif
160405	2015-10-05	cif/ Adding structures of 1534085 via cif-deposit CGI script.	1534085.cif