Crystallography Open Database

Information card for entry 1563348

Preview

Coordinates	1563348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 Gd2 Ge2 K8 Na4 O110 W22
Calculated formula	C4 H6 Gd2 Ge2 K8 Na4 O110 W22
SMILES	C1(=[O][Gd]2345([O]=[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9%17%18(O[W]%19%20(O%13)(O[W](O%12)(O6)(=O)([O]8[Ge]6([O]%11%14%16)[O]%17%19[W](O%20)(O%18)(=[O]4)(=O)O[W]48([O]%116[W](O%15)(O9)(=O)(O[W]%11(O%10)(=O)(O7)O8)O4)(=[O]3)=O)=[O]2)=O)=O)=O)([OH2])[O]2C(=[O][Gd]3462([O]=[W]278(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9%17%18(O[W]%19%20(O%13)(O[W](O%12)(O2)(=O)([O]8[Ge]2([O]%11%14%16)[O]%17%19[W](O%20)(O%18)(=[O]6)(=O)O[W]68([O]%112[W](O%15)(O9)(=O)(O[W]%11(O%10)(=O)(O7)O8)O6)(=[O]4)=O)=[O]3)=O)=O)=O)([OH2])[O]15)C)C.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+]
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	20.1264 ± 0.0002 Å
b	12.6758 ± 0.0001 Å
c	21.1523 ± 0.0002 Å
α	90°
β	110.839 ± 0.001°
γ	90°
Cell volume	5043.33 ± 0.09 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	0.0558
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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.	1563348.cif