Crystallography Open Database

Information card for entry 1517007

Preview

Coordinates	1517007.cif

Structure parameters

Formula	C51 H44 Cl2 N4 Zn
Calculated formula	C51 H44 Cl2 N4 Zn
SMILES	[Zn]12(N(C(=Cc3[n]1c1c(cc3)cccc1)c1ccccc1)c1c(cccc1C)C)N(C(=Cc1[n]2c2c(cc1)cccc2)c1ccccc1)c1c(cccc1C)C.C(Cl)Cl
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	10.2526 ± 0.0002 Å
b	22.0749 ± 0.0004 Å
c	38.2732 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8662.2 ± 0.3 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1517007.cif
119875	2014-07-09	cif/ Adding structures of 1517007 via cif-deposit CGI script.	1517007.cif