Crystallography Open Database

Information card for entry 4067496

Preview

Coordinates	4067496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 B Cl F4 Pd Ru S2
Calculated formula	C24 H36 B Cl F4 Pd Ru S2
Title of publication	Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity
Authors of publication	Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	5
Pages of publication	1157
a	14.6653 ± 0.00011 Å
b	14.08899 ± 0.00013 Å
c	26.2077 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5415.02 ± 0.12 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178565 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/74.	4067496.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067496.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067496.cif
34214	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067495, 4067496, 4067497, 4067498 via cif-deposit CGI script.	4067496.cif