Crystallography Open Database

Information card for entry 1563349

Preview

Coordinates	1563349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 Ge2 K8 Na4 O110 Tb2 W22
Calculated formula	C4 H6 Ge2 K8 Na4 O110 Tb2 W22
SMILES	C1(=[O][Tb]2345([O]1[Tb]1678([OH2])([O]=[W]9%10%11(O[W]%12%13%14(=O)O[W]%15%16%17(O[W]%18%19(O[W]%20%21%22(O[W]%23%24(O[W]%25%26([O]%24([W](O%23)(=O)(O9)(O%26)O%14)[Ge]9([O]%12%16%19)[O]%12%22[W](O[W]%12(=O)(O%20)(O%25)=[O]6)(O%15)(=O)(O%21)O[W](O1)(O%10)([O]%119)(O%17)=O)(=O)=[O]7)(O%18)=O)=O)(O%13)=O)=O)=O)[O]=C(C)[O]58)([O]=[W]156(O[W]789(=O)O[W]%10%11%12(O[W]%13%14(O[W]%15%16%17(O[W]%18%19(O[W]%20%21(O[W]%22(=O)(O%15)(O[W]%15(O%10)(=O)(O%16)[O]%17%22[Ge]([O]%19%21[W](O%20)(O%18)(=O)(O1)O9)([O]7%11%14)[O]6[W](=[O]2)(O5)(O%15)(O%12)=O)=[O]3)(=O)=[O]4)(=O)O%13)=O)(O8)=O)=O)=O)[OH2])C.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.[Na+].[Na+].O.O.O.O.O.O.O.O.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O
Title of publication	A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}
Authors of publication	Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2011
Journal volume	184
Journal issue	1
Pages of publication	214 - 219
a	20.1171 ± 0.0005 Å
b	12.6768 ± 0.0002 Å
c	21.13 ± 0.0005 Å
α	90°
β	110.886 ± 0.003°
γ	90°
Cell volume	5034.5 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266400 (current)	2021-06-11	cif/ Adding structures of 1563347, 1563348, 1563349, 1563350, 1563351, 1563352, 1563353 via cif-deposit CGI script.	1563349.cif