Crystallography Open Database

Information card for entry 4319122

4319121 << 4319122 >> 4319123

Preview

Coordinates	4319122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu3 K12 O90 Sb2 W18
Calculated formula	Cu3 K12 O90 Sb2 W18
SMILES	[K+].[K+].O.[K+].[K+].O.[K+].O.[K+].[K+].[K+].O.[K+].[W]1234(O[W]567(=O)O[W]89%10(O[W]%11%12%13([O]%149[W](O%10)(=[O][Cu]9([O]=1)([O]=[W]1%10%15(O[W]%16%17(O[W]%18%19%20(=[O][Cu]%21([O]=%12)([O]=[W]%12%22(O[W]%23(O8)(O5)([O]5%12[W]8(O%23)(=[O][Cu]%12([O]=[W](O2)(O8)(O6)([O]47[Sb]%145)=O)([O]=[W]245(O[W]6(=[O]%21)(O%18)(O[W]78([O]26[Sb]2[O]6%10[W](=O)(O1)(O[W]6(O%15)(O4)(=O)=[O]%12)(O[W](O%19)([O]%16%202)(O%17)(=O)O8)O7)(O5)=O)=O)=O)[OH2])(=O)O%22)=O)(=O)O%13)[OH2])=O)(=[O]9)=O)=O)[OH2])(O3)(=O)O%11)=O)=O)=O.O.O.O.O.O.O.O.O.[K+].O.[K+].[K+].O.O.O.O.O.O.O.O
Title of publication	Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion
Authors of publication	Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	44 - 48
a	30.2359 ± 0.0003 Å
b	14.9889 ± 0.0002 Å
c	19.1354 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8672.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179271 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/91.	4319122.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319122.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319122.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319122.cif
15854	2011-03-18	../uploads/cif-deposit/cod/cif Adding structures of 4319122 via cif-deposit CGI script.	4319122.cif