Crystallography Open Database

Information card for entry 4114693

Preview

Coordinates	4114693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 F12 N7 O2 P2 Ru
Calculated formula	C22 H31 F12 N7 O2 P2 Ru
Title of publication	Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts
Authors of publication	Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	3064 - 3082
a	13.2927 ± 0.0014 Å
b	15.9583 ± 0.0017 Å
c	15.0878 ± 0.0016 Å
α	90°
β	108.613 ± 0.002°
γ	90°
Cell volume	3033.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0958
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.2164
Weighted residual factors for all reflections included in the refinement	0.2203
Goodness-of-fit parameter for all reflections included in the refinement	1.222
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178917 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/46.	4114693.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114693.cif
68034	2012-10-15	cif/ Adding structures of 4114693 via cif-deposit CGI script.	4114693.cif