Crystallography Open Database

Information card for entry 4348193

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Structure parameters

Formula	C26 H21 F18 Gd N O8
Calculated formula	C26 H21 F18 Gd N O8
SMILES	[Gd]123(ON(c4cccc(c4)C)C(C)(C)C)([OH2])(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
Title of publication	Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds.
Authors of publication	Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	16
Pages of publication	8140 - 8146
a	12.237 ± 0.003 Å
b	17.603 ± 0.004 Å
c	18.068 ± 0.004 Å
α	63.374 ± 0.009°
β	84.751 ± 0.01°
γ	80.344 ± 0.01°
Cell volume	3429.4 ± 1.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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 significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348193.cif
232813	2019-11-23	cif/ Adding structures of 4348193 via cif-deposit CGI script.	4348193.cif