Crystallography Open Database

Information card for entry 1563664

Preview

Coordinates	1563664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H49 F18 Gd N4 O12
Calculated formula	C55 H49 F18 Gd N4 O12
SMILES	[Gd]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCc2ccccc2)cc1)[O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCc2ccccc2)cc1
Title of publication	Two tri-spin complexes based on gadolinium and nitronyl nitroxide radicals: Structure and ferromagnetic interactions
Authors of publication	Zhou, Na; Ma, Yue; Wang, Chao; Xu, Gong-Feng; Tang, Jinkui; Yan, Shi-Ping; Liao, Dai-Zheng
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	4
Pages of publication	927 - 932
a	12.247 ± 0.002 Å
b	15.908 ± 0.003 Å
c	17.43 ± 0.003 Å
α	72.38 ± 0.03°
β	73.68 ± 0.03°
γ	77.39 ± 0.03°
Cell volume	3072.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
266638 (current)	2021-06-23	cif/ Adding structures of 1563663, 1563664, 1563665 via cif-deposit CGI script.	1563664.cif