Crystallography Open Database

Information card for entry 1537146

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Coordinates	1537146.cif

Structure parameters

Chemical name	K Na9 (Mn4 (H2 O)2 (As W9 O34)2) (H2 O)35
Formula	As2 H74 K Mn4 Na9 O105 W18
Calculated formula	As2 Mn4 Na9 O105 W18
SMILES	O=[W]123O[W]45(=O)O[W]6(O1)(=O)O[W]178(=O)[O]9[W]%10(O6)(O[W]6%11(O2)([O]2[W]%12(O3)(O6)(=O)O[W]36(O4)([O]([W](O5)(O3)(=O)(O1)[O]1[Mn]3([O]=6)[O]4[Mn]([O]=%11)([O]=%12)([O]5[Mn]6([O]=%10)[O]=[W]%10%11%12(O[W]%13%14(O[W]%15%16(=O)O[W]%17(O%13)(=O)O[W]%13%184([O]4[W](O%17)(O[W]%17%19(O%15)([O]([W](O%16)(O%17)(=O)(O%11)=[O][Mn]1([O]=%19)([O]86)[OH2])[As]4(=O)[O]%10[W]5(O%14)(O%12)(=O)O%13)=O)(O%18)(=O)=[O]3)=O)=O)=O)[OH2])[As]92=O)=O)=O)(O7)=O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.[Na+].O.O.O.O.O
Title of publication	Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)
Authors of publication	Rosu, C.; Crans, D.C.; Weakley, T.J.R.
Journal of publication	Polyhedron
Year of publication	2002
Journal volume	21
Pages of publication	959 - 962
a	11.6368 Å
b	14.2113 Å
c	17.6343 Å
α	98.876°
β	105.682°
γ	113.29°
Cell volume	2463.89 Å³
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1537146.cif
165168	2015-10-10	cif/ Adding structures of 1537146 via cif-deposit CGI script.	1537146.cif