Crystallography Open Database

Information card for entry 1506346

Preview

Coordinates	1506346.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-[Dichlorotetraindazoleruthenium(II)]acetone disolvate
Formula	C34 H36 Cl2 N8 O2 Ru
Calculated formula	C34 H36 Cl2 N8 O2 Ru
Title of publication	Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.
Authors of publication	Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K.
Journal of publication	Journal of medicinal chemistry
Year of publication	2005
Journal volume	48
Journal issue	8
Pages of publication	2831 - 2837
a	10.891 ± 0.002 Å
b	13.279 ± 0.003 Å
c	14.399 ± 0.003 Å
α	65.66 ± 0.03°
β	69.04 ± 0.03°
γ	68.36 ± 0.03°
Cell volume	1710.8 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0337
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506346.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506346.cif
50242	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506346 via cif-deposit CGI script.	1506346.cif