Crystallography Open Database

Information card for entry 7112026

7112025 << 7112026 >> 7112027

Preview

Coordinates	7112026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 F18 Gd N O8
Calculated formula	C23 H23 F18 Gd N O8
Title of publication	Preparation and characterization of [Gd(hfac)3(DTBN)(H2O)] (DTBN = di-t-butyl nitroxide). Ferromagnetic Gd3±Gd3+ super-superexchange
Authors of publication	Takuya Kanetomo; Takayuki Ishida
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2529
a	9.662 ± 0.0018 Å
b	17.014 ± 0.004 Å
c	22.052 ± 0.005 Å
α	107.668 ± 0.008°
β	101.607 ± 0.008°
γ	101.768 ± 0.008°
Cell volume	3244.2 ± 1.3 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	0.0666
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112026.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112026.cif
103351	2014-03-03	cif/ Adding structures of 7112026 via cif-deposit CGI script.	7112026.cif