Crystallography Open Database

Information card for entry 7221554

Preview

Coordinates	7221554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cu2 N9 O14 Sm
Calculated formula	C8 H12 Cu2 N9 O14 Sm
Title of publication	Ln(III) ion dependent magnetism in heterometallic Cu-Ln complexes based on azide and 1,2,3-triazole-4,5-dicarboxylate as co-ligands
Authors of publication	Jiang, Xue; Han, Song-De; Zhao, Ran; Xu, Jian; Bu, Xian-He
Journal of publication	RSC Adv.
Year of publication	2015
a	11.878 ± 0.002 Å
b	7.4838 ± 0.0015 Å
c	11.582 ± 0.002 Å
α	90°
β	103.09 ± 0.03°
γ	90°
Cell volume	1002.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.336
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.	7221554.cif
152076	2015-07-15	cif/ Adding structures of 7221552, 7221553, 7221554, 7221555 via cif-deposit CGI script.	7221554.cif