Crystallography Open Database

Information card for entry 7700460

Preview

Coordinates	7700460.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(Chlorido)(1,3-dioxo-kO1-1,3-dihydro-2H-inden-2-ylidene)((2-(naphthalen-1-yl)methyl)amino)methanolato-kO2)](c6-p-cymene)ruthenium(II)
Formula	C31 H28 Cl N O3 Ru
Calculated formula	C31 H28 Cl N O3 Ru
Title of publication	Ruthenium-arene complexes bearing naphthyl-substituted 1,3-dioxoindan-2-carboxamides ligands for G-quadruplex DNA recognition.
Authors of publication	Hager, Laura A.; Mokesch, Stephan; Kieler, Claudia; Alonso-de Castro, Silvia; Baier, Dina; Roller, Alexander; Kandioller, Wolfgang; Keppler, Bernhard K.; Berger, Walter; Salassa, Luca; Terenzi, Alessio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12040 - 12049
a	22.1184 ± 0.0008 Å
b	10.0442 ± 0.0003 Å
c	24.5438 ± 0.0009 Å
α	90°
β	105.602 ± 0.002°
γ	90°
Cell volume	5251.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
223910 (current)	2019-11-07	cif/ Updating files of 7700460, 7700461, 7700462 Original log message: Adding full bibliography for 7700460--7700462.cif.	7700460.cif
216767	2019-07-05	cif/ Adding structures of 7700460, 7700461, 7700462 via cif-deposit CGI script.	7700460.cif