Crystallography Open Database

Information card for entry 7706182

Preview

Coordinates	7706182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Ce N4 O4
Calculated formula	C34 H32 Ce N4 O4
SMILES	[Ce]123456(Oc7c(cccc7)C=[N]4CCC[N]5=Cc4c(O1)cccc4)Oc1c(C=[N]6CCC[N]2=Cc2ccccc2O3)cccc1
Title of publication	Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.
Authors of publication	Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	48
Pages of publication	17559 - 17570
a	8.5959 ± 0.0007 Å
b	13.3829 ± 0.001 Å
c	13.4915 ± 0.001 Å
α	103.25 ± 0.002°
β	100.909 ± 0.002°
γ	97.822 ± 0.002°
Cell volume	1457 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
260105 (current)	2020-12-23	cif/ Adding structures of 7706181, 7706182, 7706183, 7706184, 7706185, 7706186 via cif-deposit CGI script.	7706182.cif