Crystallography Open Database

Information card for entry 1516540

Preview

Coordinates	1516540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 N4 O5 P Ru
Calculated formula	C21 H31 N4 O5 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)NCCC)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	11.58624 ± 0.00012 Å
b	15.39855 ± 0.00014 Å
c	13.23391 ± 0.00014 Å
α	90°
β	98.3744 ± 0.001°
γ	90°
Cell volume	2335.9 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0261
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1516540.cif
116026	2014-06-06	cif/ Adding structures of 1516539, 1516540, 1516541, 1516542 via cif-deposit CGI script.	1516540.cif