Crystallography Open Database

Information card for entry 1534579

Preview

Coordinates	1534579.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Na9 K (Fe4 (H2 O)2 (Fe W9 O34)2) (H2 O)34
Formula	Fe6 H72 K Na9 O104 W18
Calculated formula	Fe6 K Na9.02 O104.02 W18
SMILES	[K+].O.O=[W]1234O[W]567(=O)O[W]89(=O)(O3)O[W]3%10%11(=O)[O]%129[W]9(O8)(O%11)(=O)[O]8[Fe]%11%13%14([OH2])[O]%15[W]%16(O1)([O]14[W]4(O2)(O[W]2%17(O5)([O]57[W](O6)(=O)(=[O][Fe]67([OH2])([O]=%17)[O]%17([Fe]%1215)[Fe]15%15([O]=4)[O]=[W]4%12%15(O[W]%18%19%20(O[W]%21%22%23(=O)O[W]%24%25(O%19)(=O)O[W]%19%26([O]%24([W](O%25)(=O)(=[O]%11)(O%12)O%19)[Fe]%11%12[O]%19%21[W]%24(O%23)(O%26)(=O)=[O][Fe]8%17([O]=%10)([O]6[W]%19(O%22)(O[W](O%20)([O]4%18%11)(O%15)(=O)[O]71)(O%24)=O)[O]%145%12)(=[O]%13)=O)=O)=O)(O3)O2)=O)(=O)O%16)(O9)=O.[Na+].[Na+].O.[Na+].[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.[Na+].O.O.O.O.O.O.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.; Burgemeister, K.; Droste, E.; Krebs, B.
Journal of publication	Journal of Cluster Science
Year of publication	2002
Journal volume	13
Pages of publication	369 - 379
a	12.316 ± 0.002 Å
b	13.716 ± 0.003 Å
c	14.925 ± 0.003 Å
α	99.36 ± 0.03°
β	104.21 ± 0.03°
γ	101.55 ± 0.03°
Cell volume	2334.3 Å³
Number of distinct elements	6
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
177094 (current)	2016-03-01	cif/1/53/45/ Adding precisions of lattice constants for entries 1534575 and 1534579.	1534579.cif
177093	2016-03-01	cif/1/53/45/ Adding DOIs for entries 1534575 and 1534579.	1534579.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.	1534579.cif
161416	2015-10-09	cif/ Adding structures of 1534579 via cif-deposit CGI script.	1534579.cif