Crystallography Open Database

Information card for entry 1516995

Preview

Coordinates	1516995.cif

Structure parameters

Formula	C70 H82 Li2 N4 O3
Calculated formula	C70 H82 Li2 N4 O3
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	8.789 ± 0.0003 Å
b	10.2331 ± 0.0002 Å
c	17.4981 ± 0.0005 Å
α	75.609 ± 0.002°
β	88.98 ± 0.002°
γ	87.036 ± 0.002°
Cell volume	1522.32 ± 0.08 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 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	0.0701
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1516995.cif
119863	2014-07-09	cif/ Adding structures of 1516995 via cif-deposit CGI script.	1516995.cif