Crystallography Open Database

Information card for entry 4335860

Preview

Coordinates	4335860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 F12 N11 O P2 Ru
Calculated formula	C24 H29 F12 N11 O P2 Ru
Title of publication	Anticancer Activity and DNA Binding of a Bifunctional Ru(II) Arene Aqua-Complex with the 2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine Ligand
Authors of publication	Natalia Busto; Jesús Valladolid; Marta Martínez-Alonso; Héctor J. Lozano; Félix A. Jalón; Blanca R. Manzano; A. M. Rodríguez; M. Carmen Carrión; Tarita Biver; José M. Leal; Gustavo Espino; Begoña García
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9962 - 9974
a	12.0544 ± 0.0013 Å
b	14.486 ± 0.0016 Å
c	20.215 ± 0.002 Å
α	110.795 ± 0.002°
β	94.681 ± 0.002°
γ	93.04 ± 0.002°
Cell volume	3276.2 ± 0.6 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179461 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/58.	4335860.cif
101813	2014-02-18	cif/ Adding structures of 4335860 via cif-deposit CGI script.	4335860.cif