Crystallography Open Database

Information card for entry 1516990

Preview

Coordinates	1516990.cif
External links	PubChem

Structure parameters

Formula	C20 H26 N2
Calculated formula	C20 H26 N2
SMILES	N(/C(C)=C\c1ncccc1)c1c(cccc1C(C)C)C(C)C
Title of publication	Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn
Authors of publication	Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	401
Pages of publication	38 - 49
a	24.1856 ± 0.0004 Å
b	11.2518 ± 0.0004 Å
c	26.716 ± 0.0009 Å
α	90°
β	93.795 ± 0.002°
γ	90°
Cell volume	7254.3 ± 0.4 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516990.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516990.cif
119858	2014-07-09	cif/ Adding structures of 1516990 via cif-deposit CGI script.	1516990.cif