Crystallography Open Database

Information card for entry 1512672

Preview

Coordinates	1512672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Cl2 N4 O4 Ru
Calculated formula	C32 H36 Cl2 N4 O4 Ru
SMILES	[Ru]12(Cl)(Cl)([N](c3c(O)ccc(c3)C)=Cc3[n]1cccc3)[N](c1c(O)ccc(c1)C)=Cc1[n]2cccc1.O=C(C)C.O=C(C)C
Title of publication	Synthesis, crystal structure and biological studies of the highly anticancer active compound trans-dichloridobis(4-methyl-2-N-(2-pyridylmethylene)- aminophenol)ruthenium(II)
Authors of publication	Sudeshna Roy; Palanisamy Uma Maheswari; Amalija Golobic; Bojan Kozlevcar; Jan Reedijk
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	239 - 245
a	8.876 ± 0.0002 Å
b	9.0154 ± 0.0002 Å
c	10.4403 ± 0.0003 Å
α	91.625 ± 0.001°
β	107.003 ± 0.001°
γ	92.203 ± 0.001°
Cell volume	797.65 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512672.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512672.cif
90732	2013-11-18	cif/ Adding structures of 1512672 via cif-deposit CGI script.	1512672.cif