Crystallography Open Database

Information card for entry 1537143

Preview

Coordinates	1537143.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Na11 (Cu3 (H2 O)3 (Bi W9 O33)2) (H2 O)32.5
Formula	Bi2 Cu3 H71 Na11 O101.5 W18
Calculated formula	Bi2 Cu3 Na11 O101.5 W18
SMILES	O=[W]1234O[W]567(=O)O[W]89(O3)(=O)O[W]3%10%11(=O)[O]%129[Bi]9[O]%132[W]2%14(O1)(=O)O[W]1%15(O5)(=O)[O]69[W]5(O%15)(O7)(=O)=[O][Cu]6([O]=[W]%12(O8)(O%11)(O5)=O)[O]=[W]578(=O)[O]9%11[W]%12%15(=O)(O5)O[W]5%16(=O)(=[O][Cu]([O]=%14)([O]=%12)([O]=1)[OH2])O[W]1%12%14(=O)[O]5%17[W]5(O%16)(=O)(O1)O[W]%11(O%15)(O8)(=O)O[W]18(O5)(=O)[O]5([Bi]9%17)[W](O%12)(=O)O[W]5(O7)(=[O]6)(=O)(O8)(O1)=[O][Cu]([O]=%14)([O]=%10)([OH2])[O]=[W]%13(O2)(O4)(O3)=O.[Na+].O.[Na+].O.O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O
Title of publication	X-ray structure of dodecasodium tricopper(II)bis[nonatungstabismuthate(III) hydrate, a polyoxometalate salt containing α-B-BiW~9~O~33~ units
Authors of publication	Rosu, C.; Rasu, D.; Weakley, T. J. R.
Journal of publication	Journal of Chemical Crystallography
Year of publication	2003
Journal volume	33
Journal issue	10
Pages of publication	751 - 755
a	33.082 Å
b	19.615 Å
c	14.885 Å
α	90°
β	90.63°
γ	90°
Cell volume	9658.34 Å³
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
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.	1537143.cif
174921	2016-01-24	cif/1/53/ (antanas@kurmis) Updating bibliography for entry 1537143.	1537143.cif
165164	2015-10-10	cif/ Adding structures of 1537143 via cif-deposit CGI script.	1537143.cif