Crystallography Open Database

Information card for entry 1535295

Preview

Coordinates	1535295.cif

Structure parameters

Chemical name	Na19 K4 Cu14 Si4 W36 Br O193.75
Formula	Br Cu14 K4 Na19 O193.75 Si4 W36
Calculated formula	Br Cu14 K4 Na19 O193.75 Si4 W36
SMILES	[K+].O.[K+].O.O.[Na+].[K+].O=[W]1234O[W]567(=O)O[W]89(O3)(=O)O[W]3%10%11(=O)O[W]%12%13(O2)(=O)[O]24[W]4(O1)(=O)(O%12)O[W]1%14%15(=O)=[O][Cu]%16%17[O]=[W](O%13)(O1)(=O)(O3)[O]%15[Si]2([O]8%11)[O]7[W](O4)(O%14)(O6)(=O)[O]1[Cu]2([O]4[Cu]67[O]=[W]8%11%13(O[W]%14%15%18(=O)O[W]%19%20([O]%21[Si]%22%23[O]%24[W]%25%26%27(O[W]%28(O[W](O%11)([O]%13%22)(=O)(=[O]6)O%26)(O%15)([O]%18%23[W]6(O%14)(O%28)(=O)O[W]%11%21(=[O][Cu]([O]=%19)(O7)O[Cu]4([O]=[W]%24(O%25)(O6)(=O)O%11)[O]%27[Cu]4([O]%16[Cu]1([O]=5)O[Cu]([O]=%10)([O]=9)O%17)[O]1[Cu]56[O]=[W]79%10(O[W]%11%13%14(O[W]%15%16%17(=O)O[W]%18%19%21(O[W](O%15)(O9)([O]%10[Si]9%10[O]%11%17[W]%11(O%16)(O[W]%15(O%19)([O]%21%10)(=O)=[O][Cu]([O]=%18)([O]46)O[Cu]41[O]=[W]1([O]9[W](O7)(O%14)(=O)(O1)=[O]4)(O%15)(O%11)=O)(=O)O%13)(=O)=[O]5)=O)=O)=O)(=O)O%20)=O)=O)(O8)=O)=O)[O]1[Cu]45[O]=[W]678(O[W]9%10%11(O[W]%13%14%15(=O)O[W]%16(O7)([O]8[Si]78[O]9%15[W]9(O%14)(=O)(O[W]%14%15%17(O[W](O%13)(O%16)(=O)(=[O][Cu]1([O]=%15)[O]2[Cu]1([O]=[W]2(O%11)(=O)(O6)O[W](O9)([O]72)(O%17)(=O)=[O]1)O5)[O]8%14)=O)O%10)(=[O]4)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].O.[Na+].[Br-].O.[Na+].O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].[Na+].O.[Na+].[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+]
Title of publication	A supramolecular tetradecanuclear Cu(II) polyoxotungstate
Authors of publication	Mialane, P.; Secheresse, F.; Dolbecq, A.; Riviere, E.; Marrot, J.
Journal of publication	Angewandte Chemie (Edition international)
Year of publication	2003
Journal volume	42
Pages of publication	3523 - 3526
a	63.4405 Å
b	18.4975 Å
c	41.3627 Å
α	90°
β	107.514°
γ	90°
Cell volume	46288.7 Å³
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
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.	1535295.cif
162595	2015-10-09	cif/ Adding structures of 1535295 via cif-deposit CGI script.	1535295.cif