Crystallography Open Database

Information card for entry 4513131

Preview

Coordinates	4513131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H152 Fe6 N4 O38 Y2
Calculated formula	C82 H152 Fe6 N4 O38 Y2
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	16.919 ± 0.003 Å
b	19.726 ± 0.004 Å
c	18.066 ± 0.004 Å
α	90°
β	92.01 ± 0.03°
γ	90°
Cell volume	6026 ± 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	0.1434
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4513131.cif
137834	2015-06-04	cif/ Adding structures of 4513131, 4513132, 4513133, 4513134 via cif-deposit CGI script.	4513131.cif