Crystallography Open Database

Information card for entry 4329726

Preview

Coordinates	4329726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H138 N4 O142 Ru8 Sb2 W20
Calculated formula	O117 Ru8 Sb2 W20
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	12.8277 ± 0.0006 Å
b	14.7639 ± 0.0007 Å
c	15.579 ± 0.0007 Å
α	99.82 ± 0.003°
β	100.265 ± 0.003°
γ	98.563 ± 0.003°
Cell volume	2811.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179400 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/97.	4329726.cif
78963	2013-04-03	cif/ Adding structures of 4329726 via cif-deposit CGI script.	4329726.cif