Crystallography Open Database

Information card for entry 4069009

Preview

Coordinates	4069009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 B Cl F4 N2 Pd Ru
Calculated formula	C28 H38 B Cl F4 N2 Pd Ru
Title of publication	Bimetallic η6,η1NCN-Pincer Ruthenium Palladium Complexes with η6-RuCp Coordination: Synthesis, X-ray Structures, and Catalytic Properties⊥
Authors of publication	Bonnet, Sylvestre; van Lenthe, Joop H.; Siegler, Maxime A.; Spek, Anthony L.; van Koten, Gerard; Gebbink, Robertus J. M. Klein
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2325
a	14.1334 ± 0.0005 Å
b	14.7569 ± 0.0005 Å
c	16.1141 ± 0.0006 Å
α	78.019 ± 0.002°
β	77.718 ± 0.002°
γ	63.285 ± 0.002°
Cell volume	2909.14 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
178507 (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 4/06/90.	4069009.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069009.cif
40090	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069009 via cif-deposit CGI script.	4069009.cif