Crystallography Open Database

Information card for entry 4071018

Preview

Coordinates	4071018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H62 Cl6 P4 Ru2
Calculated formula	C73 H62 Cl6 P4 Ru2
Title of publication	New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation
Authors of publication	Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1193
a	10.793 ± 0.001 Å
b	12.856 ± 0.002 Å
c	13.174 ± 0.003 Å
α	96.96 ± 0.03°
β	91.14 ± 0.02°
γ	109.87 ± 0.03°
Cell volume	1702.8 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071018.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071018.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071018.cif
42989	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071018 via cif-deposit CGI script.	4071018.cif