Crystallography Open Database

Information card for entry 7223111

Preview

Coordinates	7223111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 Ge2 K8 Na6 O108 Pr2 W22
Calculated formula	C4 H6 Ge2 K8 Na6 O108 Pr2 W22
SMILES	C1(=[O][Pr]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(=O)(O[W]%17%18(O%15)(=O)O[W]%15%19(O%13)(=O)O[W]%13%20(O%12)(=O)O[W]%12(O%10)(=O)(O6)[O]6%13[Ge]([O]%11%14%16)([O]79)[O]%18%19[W](=O)(O%17)(O%15)(O[W]6(O%20)(O%12)(=O)=[O]4)=[O]3)(=[O]2)O8)=O)([OH2])[O]1[Pr]1234([O]=[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9(=O)(O[W]%17%18(O%15)(=O)O[W]%15%19(O%13)(=O)O[W]%13%20(O%12)(=O)O[W]%12(O%10)(=O)(O6)[O]6%13[Ge]([O]%11%14%16)([O]79)[O]%18%19[W](=O)(O%17)(O%15)(O[W]6(O%20)(O%12)(=O)=[O]3)=[O]2)(=[O]1)O8)=O)([OH2])[O]=C(C)[O]54)C.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[K+].[K+].[K+].[K+].[Na+]
Title of publication	Syntheses, crystal structure, electrochemistry and luminescence properties of lanthano-germanotungstates
Authors of publication	Gupta, Rakesh; Hussain, Firasat; Behera, Jogendra Nath; Bossoh, Amoassi Martin; Mbomekalle, Israel Martyr; Oliveira, Pedro Almeida-de
Journal of publication	RSC Adv.
Year of publication	2015
a	20.268 ± 0.0008 Å
b	12.7357 ± 0.0004 Å
c	21.3024 ± 0.0007 Å
α	90 ± 0.003°
β	110.614 ± 0.003°
γ	90 ± 0.003°
Cell volume	5146.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0621
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
169942 (current)	2015-10-31	cif/ Adding structures of 7223111, 7223112, 7223113 via cif-deposit CGI script.	7223111.cif