Crystallography Open Database

Information card for entry 1516866

Preview

Coordinates	1516866.cif

Structure parameters

Formula	C18 H12 I2 N2 O2 Pb2
Calculated formula	C18 H12 I2 N2 O2 Pb2
SMILES	[Pb]12(I)[O]([Pb]3(I)[O]1c1cccc4ccc[n]3c14)c1c3[n]2cccc3ccc1
Title of publication	Fabrication of an organic light-emitting diode (OLED) from a two-dimensional lead(II) coordination polymer
Authors of publication	Ezzatollah Najafi; Mostafa M. Amini; Ezeddin Mohajerani; Mohammad Janghouri; Hossein Razavi; Hamidreza Khavasi
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	119 - 125
a	9.4814 ± 0.0019 Å
b	11.835 ± 0.002 Å
c	17.835 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2001.3 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0613
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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.	1516866.cif
119561	2014-07-07	cif/ Adding structures of 1516866 via cif-deposit CGI script.	1516866.cif