Crystallography Open Database

Information card for entry 7025401

Preview

Coordinates	7025401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H51 Cl Fe6 N12 O31
Calculated formula	C84 H36 Cl Fe6 N12 O31
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	21.6568 ± 0.0012 Å
b	21.6568 ± 0.0012 Å
c	16.8587 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	6847.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7025401.cif
93022	2014-01-12	cif/ Adding structures of 7025397, 7025398, 7025399, 7025400, 7025401 via cif-deposit CGI script.	7025401.cif