Crystallography Open Database

Information card for entry 7700461

Preview

Coordinates	7700461.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)ethyl)amino)methanolato-kO2)](c6-p-cymene)ruthenium(II)
Formula	C32 H31.33 Cl N O3.67 Ru
Calculated formula	C32 H31.3332 Cl N O3.6666 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	20.9813 ± 0.0008 Å
b	10.3997 ± 0.0004 Å
c	14.4831 ± 0.0005 Å
α	90°
β	117.8 ± 0.001°
γ	90°
Cell volume	2795.46 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0157
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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
223910 (current)	2019-11-07	cif/ Updating files of 7700460, 7700461, 7700462 Original log message: Adding full bibliography for 7700460--7700462.cif.	7700461.cif
216767	2019-07-05	cif/ Adding structures of 7700460, 7700461, 7700462 via cif-deposit CGI script.	7700461.cif