Crystallography Open Database

Information card for entry 1516539

Preview

Coordinates	1516539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N3 O6 P Ru
Calculated formula	C18 H24 N3 O6 P Ru
SMILES	[Ru]123456([P]78CN9CN(C7)CN(C8)C9)(OC(=O)C(=O)O1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)CCC(=O)O)C
Title of publication	Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics
Authors of publication	Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	6
Pages of publication	2536
a	14.595 ± 0.005 Å
b	9.371 ± 0.003 Å
c	15.859 ± 0.004 Å
α	90°
β	114.51 ± 0.016°
γ	90°
Cell volume	1973.6 ± 1.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1516539.cif
116026	2014-06-06	cif/ Adding structures of 1516539, 1516540, 1516541, 1516542 via cif-deposit CGI script.	1516539.cif