Crystallography Open Database

Information card for entry 1505685

Preview

Coordinates	1505685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 B2 F8 N6 Ru
Calculated formula	C18 H24 B2 F8 N6 Ru
SMILES	[Ru]12345([n]6ccn(c6)C)([n]6ccn(c6)C)([n]6cn(cc6)C)[cH]6[cH]4[cH]1[cH]5[cH]3[cH]26.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
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	8.4268 ± 0.0004 Å
b	13.5307 ± 0.0008 Å
c	19.9593 ± 0.0011 Å
α	90°
β	91.305 ± 0.004°
γ	90°
Cell volume	2275.2 ± 0.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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.	1505685.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505685.cif
47659	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505683, 1505684, 1505685, 1505686, 1505687 via cif-deposit CGI script.	1505685.cif