Crystallography Open Database

Information card for entry 4513132

Preview

Coordinates	4513132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H152 Fe6 Gd2 N4 O38
Calculated formula	C82 H152 Fe6 Gd2 N4 O38
Title of publication	Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters
Authors of publication	Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2253
a	16.827 ± 0.003 Å
b	19.675 ± 0.004 Å
c	17.994 ± 0.004 Å
α	90°
β	92.11 ± 0.03°
γ	90°
Cell volume	5953 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4513132.cif
137834	2015-06-04	cif/ Adding structures of 4513131, 4513132, 4513133, 4513134 via cif-deposit CGI script.	4513132.cif