Crystallography Open Database

Information card for entry 7015044

Preview

Coordinates	7015044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 As2 Fe4 O12 Te2
Calculated formula	C14 H6 As2 Fe4 O12 Te2
Title of publication	Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.
Authors of publication	Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	9
Pages of publication	2067 - 2074
a	26.694 ± 0.003 Å
b	16.95 ± 0.002 Å
c	11.046 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4997.9 ± 1.2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179854 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/50.	7015044.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015044.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015044.cif
14917	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7015040, 7015041, 7015042, 7015043, 7015044, 7015045, 7015046, 7015047 via cif-deposit CGI script.	7015044.cif