Crystallography Open Database

Information card for entry 7025398

Preview

Coordinates	7025398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Br Fe3 N12 O21
Calculated formula	C42 H24 Br0.99 Fe3 N12 O7
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	19.104 ± 0.003 Å
b	19.104 ± 0.003 Å
c	9.4409 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	2984 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
179959 (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 7/02/53.	7025398.cif
93022	2014-01-12	cif/ Adding structures of 7025397, 7025398, 7025399, 7025400, 7025401 via cif-deposit CGI script.	7025398.cif