Crystallography Open Database

Information card for entry 4321117

Preview

Coordinates	4321117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Cl2 N6 Ru
Calculated formula	C22 H18 Cl2 N6 Ru
SMILES	[Ru]12(Cl)(Cl)([n]3c(N=[N]1c1ccccc1)cccc3)[n]1c(N=[N]2c2ccccc2)cccc1
Title of publication	Strong Differences in the in Vitro Cytotoxicity of Three Isomeric Dichlorobis(2-phenylazopyridine)ruthenium(II) Complexes
Authors of publication	Aldrik H. Velders; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Dick de Vos; Jan Reedijk
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2966 - 2967
a	22.2928 ± 0.0019 Å
b	22.2928 ± 0.0019 Å
c	8.5121 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	3663.5 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
179314 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/11.	4321117.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321117.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321117.cif
18465	2011-04-30	../uploads/cif-deposit/cod/cif Adding structures of 4321117 via cif-deposit CGI script.	4321117.cif