Crystallography Open Database

Information card for entry 4030719

Preview

Coordinates	4030719.cif

Structure parameters

Formula	C60 H147 N5 O42 W12
Calculated formula	C60 N5 O42 W12
SMILES	C(CC)[N+](CCC)(CCC)CCC.C(CC)[N+](CCC)(CCC)CCC.[N+](CCC)(CCC)(CCC)CCC.O=[W]123O[W]45(O[W]678([O]9[W]%10%11(=O)(O[W]9(=O)(O7)(O2)O[W]27(O3)([O]3[W]9%12(O[W](=O)(O1)(O5)O[W]1(O9)(=O)O=[W](=O)(O[W](O4)(=O)(O8)O1)(O[W]3(O%10)(=O)(O2)O%12)O%11)(=O)O7)=O)O6)=O)=O.O.C(CC)[N+](CCC)(CCC)CCC.[N+](CCC)(CCC)(CCC)CCC.O
Title of publication	Structure of an hydrated tetrapropylammonium polytungstate H3W12O40[N(C3H7)4]5.2H2O
Authors of publication	Seguin, L.; Gerand, B.; Nowogrocki, G.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1995
Journal volume	32
Pages of publication	181 - 194
a	20.24 ± 0.01 Å
b	20.24 ± 0.01 Å
c	46.88 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	19205 ± 18 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178486 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/07.	4030719.cif
132415	2015-02-25	cif/ Adding structures of 4030719 via cif-deposit CGI script.	4030719.cif