Crystallography Open Database

Information card for entry 4508418

Preview

Coordinates	4508418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 Gd2 N3 O14
Calculated formula	C12 H19 Gd2 N3 O14
Title of publication	3D GdIIIComplex Containing Gd16Macrocycles Exhibiting Large Magnetocaloric Effect
Authors of publication	Jia, Ji-Min; Liu, Sui-Jun; Cui, Yu; Han, Song-De; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4631
a	25.83 ± 0.004 Å
b	25.83 ± 0.004 Å
c	11.945 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7970 ± 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	0.0874
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
179620 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/84.	4508418.cif
91454	2013-12-13	cif/ Adding structures of 4508418 via cif-deposit CGI script.	4508418.cif