Crystallography Open Database

Information card for entry 4068051

Preview

Coordinates	4068051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cl N2 Pd
Calculated formula	C28.839 H27 Cl1.161 N2 Pd
Title of publication	Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization
Authors of publication	Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	976
a	10.491 ± 0.003 Å
b	20.997 ± 0.004 Å
c	11.263 ± 0.003 Å
α	90°
β	90.03 ± 0.03°
γ	90°
Cell volume	2481 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
178506 (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 4/06/80.	4068051.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068051.cif
38068	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068045, 4068046, 4068047, 4068048, 4068049, 4068050, 4068051 via cif-deposit CGI script.	4068051.cif