Crystallography Open Database

Information card for entry 1512673

Preview

Coordinates	1512673.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2-Chloro-5,11-dihydroindolo[3,2-c]quinolin-6-ylidene)-N'-(1-pyridin-2-yl -ethylidene)azine diethanol solvate
Formula	C26 H28 Cl N5 O2
Calculated formula	C26 H28 Cl N5 O2
SMILES	Clc1cc2c(NC(=NN=C(C)c3ncccc3)c3c4ccccc4[nH]c23)cc1.OCC.OCC
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	7.439 ± 0.0006 Å
b	15.6393 ± 0.0014 Å
c	21.2178 ± 0.0018 Å
α	90°
β	99.794 ± 0.005°
γ	90°
Cell volume	2432.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0465
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1512673.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512673.cif
90733	2013-11-18	cif/ Adding structures of 1512673 via cif-deposit CGI script.	1512673.cif