Crystallography Open Database

Information card for entry 4066628

Preview

Coordinates	4066628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H56.75 B F6 N5.25 P4 Ru
Calculated formula	C55.51 H50 B F6 N5.25 P4 Ru
Title of publication	Synthesis and Reactivity of [(PhB(CH2PPh2)3-κ3P)Ru(NCMe)3]PF6and Its Potential as a Transfer Hydrogenation Catalyst
Authors of publication	Walker, Jesse M.; Cox, Alex M.; Wang, Ruiyao; Spivak, Gregory J.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	6121
a	15.6944 ± 0.0008 Å
b	14.7588 ± 0.0008 Å
c	24.0885 ± 0.0013 Å
α	90°
β	92.093 ± 0.001°
γ	90°
Cell volume	5575.9 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4066628.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066628.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066628.cif
33942	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066628 via cif-deposit CGI script.	4066628.cif