Crystallography Open Database

Information card for entry 4107095

Preview

Coordinates	4107095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H116 P4 Ru2
Calculated formula	C120 H116 P4 Ru2
Title of publication	Simultaneous Bridge-Localized and Mixed-Valence Character in Diruthenium Radical Cations Featuring Diethynylaromatic Bridging Ligands
Authors of publication	Mark A. Fox; Boris Le Guennic; Rachel L. Roberts; Daniel A. Brue; Dmitry S. Yufit; Judith A. K. Howard; Gabriele Manca; Jean-François Halet; František Hartl; Paul J. Low
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	18433 - 18446
a	11.9292 ± 0.0012 Å
b	13.7023 ± 0.0013 Å
c	17.4694 ± 0.0017 Å
α	98.876 ± 0.003°
β	101.348 ± 0.003°
γ	114.727 ± 0.004°
Cell volume	2451.6 ± 0.4 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1851
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
178816 (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 4/10/70.	4107095.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107095.cif
54746	2012-04-29	cif/ Adding structures of 4107095 via cif-deposit CGI script.	4107095.cif