Crystallography Open Database

Information card for entry 4123032

Preview

Coordinates	4123032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Ce Co N4 O14
Calculated formula	C23 H24 Ce Co N4 O14
SMILES	[Ce]1234567([O]8[Co]9%10([N](=Cc%11c8c([O]1C)ccc%11)CCC[N]9=Cc1c([O]2%10)c([O]4C)ccc1)([O]=C(O5)C)[O]=C(O3)C)(ON(=[O]7)=O)[O]=N(=O)O6
Title of publication	Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.
Authors of publication	Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141126140831004
a	10.8661 ± 0.0008 Å
b	15.5141 ± 0.0011 Å
c	16.9911 ± 0.0012 Å
α	90°
β	100.56 ± 0.001°
γ	90°
Cell volume	2815.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179032 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30.	4123032.cif
128281	2014-12-06	cif/ Adding structures of 4123032 via cif-deposit CGI script.	4123032.cif