Crystallography Open Database

Information card for entry 1537150

Preview

Coordinates	1537150.cif

Structure parameters

Chemical name	K Na27 (As4 W40 O140) (H2 O)56
Formula	As4 H112 K Na27 O196 W40
Calculated formula	As4 K Na26 O194 W40
SMILES	[As]12[O]34[W]56(=O)(O[W]789(=O)[O]1%10[W]1%11%12(=O)O7)O[W]37(=O)(O%12)O[W]43%12(=O)O[W]4%13([O]25[W](O6)(O8)(=O)(O4)O[W](O%12)(O[W]%10(O9)(O%11)(=O)=O)(=O)(O%13)=O)(=O)O[W]24(O3)(=[O][K]35689%10[O]=2)O[W]2%11%12(=O)[O]%13%14[W]%15%16(=O)(O%11)O[W]%11%17%18(=O)[O]%19%20[W](O%11)(O2)(=O)(O4)O[W]%19(O%17)(=O)(=O)O[W]24(=O)(=O)[O]%11([As]%14%20)[W](O%15)(O%18)(=O)(O2)O[W]2%11(O4)(=O)O[W]%13(O%16)(O%12)(=O)O[W]4(O2)(=[O]6)(=[O]9)O[W]269(=O)[O]%11%12[W]%13%14(=O)(O2)O[W]2%15%16(=O)[O]%17%18[W](O%15)(O6)(=O)(O4)O[W]%17(O%16)(=O)(=O)O[W]46(=O)(=O)[O]%15([As]%11%18)[W](O%13)(O2)(=O)(O4)O[W]2%15(O6)(=O)O[W]4(=[O]8)(=[O]5)(O[W]%12(O%14)(O9)(O2)=O)O[W]256(=O)[O]89[W]%11%12(=O)(O2)O[W]2%13%14(=O)[O]%15%16[W](O4)(O2)(=O)(O5)O[W]2%15(O%13)(=O)O[W]45(=O)(O[W](=[O]%10)(O7)(O1)(=[O]3)O2)[O]1([As]8%16)[W](O%14)(O%11)(=O)(O5)O[W]1(=O)(O4)(=O)O[W]9(O%12)(O6)(=O)=O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.[Na+].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	19.491 Å
b	19.491 Å
c	25.783 Å
α	90°
β	90°
γ	90°
Cell volume	9794.94 Å³
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
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.	1537150.cif
165172	2015-10-10	cif/ Adding structures of 1537150 via cif-deposit CGI script.	1537150.cif