Crystallography Open Database

Information card for entry 4321065

Preview

Coordinates	4321065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K4 Na6 O104 Si2 W18 Zn4
Calculated formula	K4 Na6 O104 Si2 W18 Zn4
SMILES	[W]1234([O]56[W]78(O3)(O[W]39%10([O]%11%12[W]%13(O1)(O[W]1%14([O]%15%16[W]%17%18(O1)(O[W]%11(O%13)(O9)([O]1[Zn]9%11%13([O]%19([Zn]%20%21([OH2])([O]=8)[O]=[W]5(O4)(O7)(O[W]%15(O%14)(O%17)(=[O][Zn]457%19[O]%18[Zn]81([OH2])[O]=[W]1%14%15([O]%17%18[W]%19%22(O[W]%23%24%25([O]%26%27[W](O%24)(O%14)(O[W]%26(O%25)(O[W]%14%24([O]%25([W](O%19)(O%23)(O%14)(O[W]%25(O%24)(O[W]%17(O%22)(O%15)(=[O]8)=O)(=[O]%13)=O)=O)[Si]%18%27[O]94)([O]%11%21)=O)([O]%207)=O)(=[O]5)=O)=O)(O1)=O)=O)=O)=O)[Si]6%12%16)[O]=%10)=O)=O)(O2)=O)(O3)=O)=O)=O)=O.[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Sandwich-Type Silicotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [{SiM2W9O34(H2O)}2]12- (M = Mn2+, Cu2+, Zn2+)
Authors of publication	Ulrich Kortz; Samih Isber; Michael H. Dickman; Didier Ravot
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2915 - 2922
a	12.2596 ± 0.0014 Å
b	13.2555 ± 0.0015 Å
c	16.2892 ± 0.0018 Å
α	96.431 ± 0.002°
β	100.944 ± 0.002°
γ	110.404 ± 0.002°
Cell volume	2389.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179313 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/10.	4321065.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321065.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321065.cif
18412	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321065 via cif-deposit CGI script.	4321065.cif