Crystallography Open Database

Information card for entry 4109252

Preview

Coordinates	4109252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Li2 N6 O6 Ru
Calculated formula	C14 H20 Li2 N6 O6 Ru
SMILES	c12[n]([Ru](C#N)(C#N)([n]3ccccc23)(C#N)C#N)cccc1.[Li]([OH2])[OH2].[Li]([OH2])([OH2])([OH2])[OH2]
Title of publication	Structural and Photophysical Properties of Adducts of [Ru(bipy)(CN)4]2- with Different Metal Cations: Metallochromism and Its Use in Switching Photoinduced Energy Transfer
Authors of publication	Theodore Lazarides; Timothy L. Easun; Claire Veyne-Marti; Wassim Z. Alsindi; Michael W. George; Nina Deppermann; Christopher A. Hunter; Harry Adams; Michael D. Ward
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4014 - 4027
a	6.8956 ± 0.0006 Å
b	14.5781 ± 0.0012 Å
c	10.5162 ± 0.0009 Å
α	90°
β	103.531 ± 0.004°
γ	90°
Cell volume	1027.8 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109252.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109252.cif
58016	2012-05-23	cif/ Adding structures of 4109252 via cif-deposit CGI script.	4109252.cif