Crystallography Open Database

Information card for entry 7037800

Preview

Coordinates	7037800.cif

Structure parameters

Chemical name	K8 Na2 (Cu4 (H2 O)2 (As W9 O34)2) (H2 O)32
Formula	As2 Cu4 H68 K8 Na2 O102 W18
Calculated formula	As2 Cu4 K8 Na2 O102 W18
SMILES	O=[W]1234=[O][Cu]567([O]89[As]%10%11[O]%12%13[W]%14%15%16(O[W]%17%18%13([O]%13[Cu]%19%20%21([O]%22[W]%23%24(O[W]%25%26(O[W](O[W](O2)(=[O]5)([O]4=%10)(O[W]([O]%11%23%25)(=[O][Cu]248%22[O]5%19[As]8%10[O]%11%19[W]%22%23%25(O[W]%27%19([O]62)(O[W]%11(=O)(O[W]26(=O)(=[O]%20)O[W]%11(O[W](O[W]%19%20(O[W]%28%29(O%27)([O]%10%19[W](=[O][Cu]9%135([O]=[W]%12(=O)(O1)(O%17)O%16)[O]7%28)(=O)(O%11)(O%20)O%29)=O)(=O)O%23)(O2)(O%22)=O)(=[O]%21)([O]=86)=O)(=[O]4)O%25)=O)=O)(=O)(O%26)O%24)=O)(O3)(O%14)=O)(=O)O%15)(O%18)=O)[OH2])=O)=O)[OH2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Rational syntheses, characterization, crystal structure, and replacement reactions of coordinated water molecules of (As2 W18 M4 (H2 O)2 O68)(10-) (M = Cd, Co, Cu, Fe, Mn, Ni or Zn)
Authors of publication	Bi, L.H.; Peng, J.; Huang, R.-D.; Wang, E.-B.; Hu, C.-W.; Wang, Y.-H.
Journal of publication	Journal of the Chemical Society. Dalton Transactions
Year of publication	2001
Journal volume	2001
Pages of publication	121 - 129
a	11.858 Å
b	12.525 Å
c	17.107 Å
α	82.82°
β	71.26°
γ	81.79°
Cell volume	2372.91 Å³
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
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.	7037800.cif
172784	2016-01-03	cif/ Adding structures of 7037800 via cif-deposit CGI script.	7037800.cif