Crystallography Open Database

Information card for entry 4085547

Preview

Coordinates	4085547.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(Chlorido)(1,3-dioxo-kappaO1-1H-inden-2(3H)-ylidene)(propylamino)- methanolato-kappaO2)(eta^6^-p-cymene)ruthenium(II)]
Formula	C23 H26 Cl N O3 Ru
Calculated formula	C23 H26 Cl N O3 Ru
Title of publication	1,3-Dioxoindan-2-carboxamides as Bioactive Ligand Scaffolds for the Development of Novel Organometallic Anticancer Drugs
Authors of publication	Mokesch, Stephan; Novak, Maria S.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	848
a	11.295 ± 0.002 Å
b	12.951 ± 0.003 Å
c	15.54 ± 0.003 Å
α	90°
β	110.27 ± 0.03°
γ	90°
Cell volume	2132.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085547.cif
134860	2015-04-04	cif/ Updating files of 4085546, 4085547 Original log message: Adding full bibliography for 4085546--4085547.cif.	4085547.cif
132164	2015-02-21	cif/ Adding structures of 4085546, 4085547 via cif-deposit CGI script.	4085547.cif