Crystallography Open Database

Information card for entry 1534582

Preview

Coordinates	1534582.cif

Structure parameters

Chemical name	Na2 K2 H2 ((In (H2 O)3)2 (In (H2 O)2)2 (As W9 O33)2) (H2 O)37
Formula	As2 H96 In4 K2 Na2 O113 W18
Calculated formula	As2 In4 K2 Na2 O113 W18
SMILES	[K+].O.O2[W]3456=[O][In]7([OH2])([OH2])([OH2])[O]=[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15%16(=O)O[W]%17%18%19%20=[O][In]%21([OH2])([OH2])([OH2])[O]=[W]%22%23%24(=O)O[W]%25%26%27(=O)O[W]%28%292(=O)[O]24[As]4[O]%22%27[W](O%28)(O%26)(=O)(O%23)=[O][In]([O]=3)([OH2])([O]=%17)([OH2])[O]=[W](O%15)(O%12)(=O)(O9)[O]8%13[As]3[O]%14%20[W]8(O%19)(=O)(O%16)O[W]%12%13(O[W]%14(O8)(=O)(O%11)O[W]([O]3%12%14)(O%13)(=O)(=[O]7)O%10)(=O)=[O][In]([O]=%18)([O]=5)([OH2])([OH2])=[O][W]357(=O)O[W]2(O%29)(O6)(=O)O[W]2(O%25)(=O)(O3)O[W](O%24)([O]452)(O7)(=O)=[O]%21.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O
Title of publication	Sandwichartige Polyoxowolframate mit Indium(III) als Heteroatom - Synthese und Charakterisierung der ersten Vertreter einer neuen Familie von Anionen
Authors of publication	Limanski, E.M.; Drewes, D.; Krebs, B.
Journal of publication	Zeitschrift fuer Anorganische und Allgemeine Chemie
Year of publication	2004
Journal volume	630
Pages of publication	523 - 528
a	20.323 Å
b	15.269 Å
c	16.014 Å
α	90°
β	94.06°
γ	90°
Cell volume	4956.86 Å³
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
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.	1534582.cif
161421	2015-10-09	cif/ Adding structures of 1534582 via cif-deposit CGI script.	1534582.cif