Crystallography Open Database

Information card for entry 1535624

Preview

Coordinates	1535624.cif

Structure parameters

Chemical name	K15 Na6 (H3 O)9 ((P Y2 W10 O38)4 (W3 O14)) (H2 O)10
Formula	H47 K15 Na6 O185 P4 W43 Y8
Calculated formula	K15 Na6 O185 P4 W43 Y8
SMILES	[K+].[K+].[K+].O1[W]23(=O)O[W]4567[O]=P89[O]%10[W]%11%12%13(=O)=[O][Y]%14%15%16%17%18([O]=5)[O]5[W]%19%20%21(=O)[O]%22P%23%24[O]%25%26[W]%27%28(=O)(O%19)O[W]%19%29%25(=O)O[W]%25%26(O%27)(=O)O[W]%26%27%30(=O)[O]%24[W]%24(O%29)(O%26)(=O)O[W]%26([O]=%23)(O%19)(=O)O[W]5(O%28)(=O)[O]%15[W]5%15(O%26)=[O][Y]%19%23%26%28([O]=6)[O]=[W]6%29%31(=O)[O]%32[W]%33(O%29)(=O)(=[O]%19)O[W]%19%29%34(=O)O[W]%35%36(=O)(O6)[O]6%29P%29%32[O]%32[W]%37(=O)(O%19)(O%33)=[O][Y]%19%33%38%39([OH2])(O%23)[O]=[W]%23(=O)[O]%40[W]%41%42%43(=[O]%28)[O]%38[Y]%28%38%44%45([O]=%23)[O]%43[W]%23(=O)=[O][Y]%43([O]%14%21)([O]=[W]%22(O%25)(O%27)(O%20)=O)([O]5%16)([OH2])([O]%41[Y]5%40([O]=%23)([O]%17%43)([O]=4)[O]=[W]4%14(=O)(O3)[O]8[W](=[O]5)(=O)(O4)(O%12)O[W]34(O%13)(=O)[O]95[W](O2)(O%14)(=O)(O3)O[W]25(=O)(O4)O[W]%10(=[O]%18)(=O)(O%11)O[W]1(O7)(=O)O2)O[Y]1([O]=%24)([O]=%30)([O]=%15)([O]=%42)[O]=[W]23(=[O]%26)[O]4[W]5(=O)(O[W](O%31)([O]=%29)(O%36)(=O)O2)O[W]6(O%35)(O%34)(=O)O[W]2%32(O%37)(=O)[O]5[Y]456([O]2%19)([O]3%33)([O]%39%28)[O]=[W]23(=[O]%38)(=[O]1)[O]=P14[O]7[W]89(=[O]5)(=O)O[W]57(=[O]6)(=O)O[W]6(O2)(=O)O[W]2(O3)(=O)O[W]37(=[O]%44)(=O)[O]1[W](=[O]%45)(=O)(O3)(O8)O[W]13(O9)(=O)[O]48[W](O2)(O7)(=O)(O3)O[W]8(O5)(O6)(=O)O1.[K+].O.[K+].[K+].O.[K+].[K+].[Na+].[Na+].[Na+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[K+].[K+].[K+].[K+].O.[K+].[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O
Title of publication	A new type of heteropolyoxometalates formed from lacunary polyoxotungstate ions and europium or yttrium cations
Authors of publication	Howell, R.C.; Perez, F.G.; Francesconi, L.C.; Horrocks, W.D.W.jr.; Jain, S.; Rheingold, A.L.
Journal of publication	Angew. Chem. Int. ed.
Year of publication	2001
Journal volume	40
Pages of publication	4031 - 4034
a	22.236 Å
b	34.264 Å
c	26.698 Å
α	90°
β	96.271°
γ	90°
Cell volume	20219.3 Å³
Number of distinct elements	7
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
163060 (current)	2015-10-09	cif/ Adding structures of 1535624 via cif-deposit CGI script.	1535624.cif