Crystallography Open Database

Information card for entry 7025400

Preview

Coordinates	7025400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34 Br4 Fe6 N8 O13
Calculated formula	C35 H34 Br4 Fe6 N8 O13
Title of publication	Synthesis, structures, adsorption behaviour and magnetic properties of a new family of polynuclear iron clusters.
Authors of publication	Miao, Yan-Li; Liu, Jun-Liang; Lin, Zhuo-Jia; Ou, Yong-Cong; Leng, Ji-Dong; Tong, Ming-Liang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4893 - 4902
a	10.1438 ± 0.0012 Å
b	13.908 ± 0.0017 Å
c	18.46 ± 0.002 Å
α	84.166 ± 0.003°
β	78.709 ± 0.003°
γ	79.963 ± 0.003°
Cell volume	2508.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2071
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2177
Weighted residual factors for all reflections included in the refinement	0.3113
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179960 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54.	7025400.cif
93022	2014-01-12	cif/ Adding structures of 7025397, 7025398, 7025399, 7025400, 7025401 via cif-deposit CGI script.	7025400.cif