Crystallography Open Database

Information card for entry 4329725

Preview

Coordinates	4329725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe2 H121 N O136 Ru8 Te2 W18
Calculated formula	Fe2 O131 Ru8 Te2 W18
Title of publication	Bis[tetraruthenium(IV)]-Containing Polyoxometalates: [{RuIV4O6(H2O)9}2Sb2W20O68(OH)2]4- and [{RuIV4O6(H2O)9}2{Fe(H2O)2}2{β-TeW9O33}2H]-
Authors of publication	Irina V. Kalinina; Natalya V. Izarova; Ulrich Kortz
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7442 - 7444
a	12.7905 ± 0.0018 Å
b	14.7398 ± 0.0018 Å
c	15.741 ± 0.002 Å
α	100.136 ± 0.009°
β	100.385 ± 0.009°
γ	97.79 ± 0.008°
Cell volume	2830.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329725.cif
78962	2013-04-03	cif/ Adding structures of 4329725 via cif-deposit CGI script.	4329725.cif