Crystallography Open Database

Information card for entry 4064609

Preview

Coordinates	4064609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.8 H85.6 As2 Cl5.6 F12 P4 Ru2
Calculated formula	C100.777 H85.554 As2 Cl5.554 F12 P4 Ru2
Title of publication	Oxidative Dimerization of Arylalkynyl‒Ruthenium Complexes
Authors of publication	Bruce, Michael I.; Burgun, Alexandre; Gendron, Frédéric; Grelaud, Guillaume; Halet, Jean-François; Skelton, Brian W.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	10
Pages of publication	2861
a	14.6343 ± 0.0007 Å
b	15.4996 ± 0.0009 Å
c	22.1769 ± 0.0012 Å
α	90.47 ± 0.004°
β	108.805 ± 0.005°
γ	99.449 ± 0.004°
Cell volume	4687.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1499
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	0.834
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4064609.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064609.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064609.cif
32967	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064609 via cif-deposit CGI script.	4064609.cif