Crystallography Open Database

Information card for entry 4067497

Preview

Coordinates	4067497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 Cl F6 P3 Pd Ru
Calculated formula	C25 H40 Cl F6 P3 Pd Ru
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	15.5266 ± 0.0004 Å
b	11.4714 ± 0.0002 Å
c	19.2563 ± 0.0005 Å
α	90°
β	117.13 ± 0.002°
γ	90°
Cell volume	3052.41 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0217
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4067497.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067497.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067497.cif
34214	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067495, 4067496, 4067497, 4067498 via cif-deposit CGI script.	4067497.cif