Crystallography Open Database

Information card for entry 7222698

Preview

Coordinates	7222698.cif

Structure parameters

Chemical name	(N H4)6 Na4 (Ni4 (H2 O)2 (As W9 O34)2) (H2 O)20
Formula	As2 H68 N6 Na4 Ni4 O90 W18
Calculated formula	As2 N6 Na4 Ni4 O90 W18
SMILES	[NH4+].[NH4+].[NH4+].[W]123(=O)O[W]456([O]7=[As]89[O]%10%11[W]%12%13(=O)(O[W]%14%15(=O)(O[W]%16%17([O]8%15[W]8(O%14)(O[W]%14%10(O%13)(=O)=[O][Ni]%10%13%15([O]=[W]%11(O[W]7(O1)(=O)(O4)=[O][Ni]147%11[O]5[Ni]5%18%19([O]=[W]%20%21%22(O[W]%23%24%25(=O)O[W]%26%27%28(=O)O[W]%29%30([O]%28([W](O%26)(O%21)(=O)(=[O]1)O%29)[As]1%21=[O]%26[W]%28%29(O[W](O%24)(O%27)(=O)O[W]%26(O%30)(O%29)(=O)[O]%13[Ni]([O]=8)([O]%17%18)([O]=%28)([O]9%157)[O]%11%19%21)(O[W](O%23)([O]%20%251)(O%22)(=O)=[O]5)=O)(=O)[O]%104)=O)[OH2])(O%12)(O%14)=O)[OH2])(=O)O%16)(=O)O6)O3)O2)=O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.[NH4+].[NH4+].[NH4+].[Na+].O.O.O.[Na+].O.O.O.O.O.O
Title of publication	Synthesis and crystal structure of the tetra-nickel substituted (Ni4 (H2 O)2 (As W9 O34)2)(10-) polyoxoanion
Authors of publication	Drewes, D.; Limanski, E.M.; Krebs, B.
Journal of publication	Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)
Year of publication	2004
Journal volume	59
Pages of publication	980 - 984
a	11.849 Å
b	16.718 Å
c	21.243 Å
α	90°
β	100.48°
γ	90°
Cell volume	4137.86 Å³
Number of distinct elements	7
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
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.	7222698.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.	7222698.cif
164298	2015-10-10	cif/ Adding structures of 7222698 via cif-deposit CGI script.	7222698.cif