Crystallography Open Database

Information card for entry 1516998

Preview

Coordinates	1516998.cif

Structure parameters

Formula	C81 H66 Cl6 Co3 Li2 N6 O7
Calculated formula	C81 H60 Cl6 Co3 Li2 N6 O7
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	20.251 ± 0.001 Å
b	20.251 ± 0.001 Å
c	32.903 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	11685.8 ± 1.1 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176729 (current)	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.	1516998.cif
119866	2014-07-09	cif/ Adding structures of 1516998 via cif-deposit CGI script.	1516998.cif