Crystallography Open Database

Information card for entry 1505686

Preview

Coordinates	1505686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Cl4 N4 Ru2
Calculated formula	C34 H52 Cl4 N4 Ru2
SMILES	[Ru]12345(Cl)(Cl)(Cl)[c]6([cH]4[cH]2[c]5([cH]3[cH]16)C)C(C)C.[Ru]12345(Cl)([n]6cn(CCCC)cc6)([n]6ccn(c6)CCCC)[c]6([cH]2[cH]3[c]1([cH]5[cH]46)C(C)C)C
Title of publication	Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Authors of publication	Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Journal of publication	Journal of medicinal chemistry
Year of publication	2006
Journal volume	49
Journal issue	18
Pages of publication	5552 - 5561
a	12.4321 ± 0.001 Å
b	12.9605 ± 0.0011 Å
c	13.0867 ± 0.0013 Å
α	90.149 ± 0.008°
β	117.791 ± 0.006°
γ	90.948 ± 0.006°
Cell volume	1865 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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.	1505686.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505686.cif
47659	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505683, 1505684, 1505685, 1505686, 1505687 via cif-deposit CGI script.	1505686.cif