Crystallography Open Database

Information card for entry 7222966

Preview

Coordinates	7222966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Fe N7 O3
Calculated formula	C9 H12 Fe N7 O3
Title of publication	Construction of Fe6, Fe8 and Mn8 Metallamacrocyclic Complexes and Magnetic Properties
Authors of publication	xu, zhouqing; Li, Huijun; Wang, Yuan; Cai, Hongxin; Jia, Lei; Hou, Hongwei
Journal of publication	RSC Adv.
Year of publication	2015
a	19.623 ± 0.003 Å
b	19.623 ± 0.003 Å
c	19.147 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7373 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222966.cif
169173	2015-10-15	cif/ Adding structures of 7222964, 7222965, 7222966 via cif-deposit CGI script.	7222966.cif