Crystallography Open Database

Information card for entry 4319120

4319119 << 4319120 >> 4319121

Preview

Coordinates	4319120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Co3 H73.5 Na8 O103 W18
Calculated formula	As2 Co3 Na8 O103 W18
SMILES	[W]1234(=O)=[O][Co]56([O]=[W]78(O1)(O[W]19%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17(O3)([O]34[W]4(O2)(O%17)(=O)O[W]2(O9)([O]7%10[As]3[O]%11%16[W](O%15)(O%13)(O2)(=O)O4)(O8)=O)(=O)=[O][Co]2([O]=%14)([O]=[W]347(O[W]89%10(O[W]%11%13(O[W]%14%15(=O)(=[O]5)O[W]5%16(O[W]%17(O4)(=O)(=[O]2)O[W]24([O]5%17[As]5[O]%11%15[W](O%14)(O%13)(=O)(O4)O[W](O9)([O]3%105)(O7)(O2)=O)(O%16)=O)(=O)=[O]6)(=O)=[O][Co]([O]=%12)([O]=1)([OH2])O8)=O)=O)[OH2])=O)=O)=O)=O)[OH2].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.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	14.124 ± 0.002 Å
b	23.294 ± 0.003 Å
c	32.247 ± 0.003 Å
α	90°
β	98.935 ± 0.01°
γ	90°
Cell volume	10481 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319120.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319120.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319120.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' ) &	4319120.cif
15852	2011-03-18	../uploads/cif-deposit/cod/cif Adding structures of 4319120 via cif-deposit CGI script.	4319120.cif