Crystallography Open Database

Information card for entry 4321067

Preview

Coordinates	4321067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu4 K3 Na5 O96 Si2 W18
Calculated formula	Cu4 K3 Na5 O96 Si2 W18
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[Cu]9%11%13([O]%19([Cu]%20%21([OH2])([O]=8)[O]=[W]5(O4)(O7)(O[W]%15(O%14)(O%17)(=[O][Cu]4%19[O]%18[Cu]51([OH2])[O]=[W]178([O]%14%15[W]%17%18(O[W]%19%22%23([O]%24%25[W](O%22)(O7)(O[W]%24(O%23)(O[W]7%22([O]%23([W](O%17)(O%19)(O7)(O[W]%23(O%22)(O[W]%14(O%18)(O8)(=[O]5)=O)(=[O]%13)=O)=O)[Si]%15%25O9)([O]%11%21)=O)(=[O]%20)=O)(=[O]4)=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.O.O.O.[K+].[Na+].[Na+].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	11.4271 ± 0.0012 Å
b	12.5956 ± 0.0013 Å
c	15.3223 ± 0.0016 Å
α	80.456 ± 0.002°
β	76.383 ± 0.002°
γ	76.968 ± 0.002°
Cell volume	2073.3 ± 0.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0931
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4321067.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321067.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321067.cif
18414	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321067 via cif-deposit CGI script.	4321067.cif