Crystallography Open Database

Information card for entry 1512678

Preview

Coordinates	1512678.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(8-Methyl-5,11-dihydroindolo[3,2-c]quinolin-6-ylidene)-N'- (1-pyridin-2-yl-ethylidene)azine
Formula	C23 H19 N5
Calculated formula	C23 H19 N5
SMILES	N1c2ccccc2c2[nH]c3c(c2C1=N/N=C(C)/c1ncccc1)cc(cc3)C
Title of publication	Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity
Authors of publication	Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	252 - 260
a	17.0279 ± 0.0016 Å
b	11.1855 ± 0.0011 Å
c	12.0305 ± 0.0011 Å
α	90°
β	129.439 ± 0.004°
γ	90°
Cell volume	1769.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	1512678.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512678.cif
90738	2013-11-18	cif/ Adding structures of 1512678 via cif-deposit CGI script.	1512678.cif