Crystallography Open Database

Information card for entry 7037764

Preview

Coordinates	7037764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H37 F36 Gd2 I N4 O16
Calculated formula	C50 H37 F36 Gd2 I N4 O16
Title of publication	First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.
Authors of publication	Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M.; Totti, Federico; Vaz, Maria G. F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	7
Pages of publication	2936 - 2944
a	12.5796 ± 0.0006 Å
b	13.3674 ± 0.0005 Å
c	23.2909 ± 0.0013 Å
α	89.61 ± 0.004°
β	83.439 ± 0.004°
γ	64.895 ± 0.004°
Cell volume	3519.5 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177776 (current)	2016-03-05	cif/ Updating files of 7037764, 7037765, 7037766, 7037767 Original log message: Adding full bibliography for 7037764--7037767.cif.	7037764.cif
171740	2015-12-25	cif/ Adding structures of 7037764, 7037765, 7037766, 7037767 via cif-deposit CGI script.	7037764.cif