Crystallography Open Database

Information card for entry 4074064

Preview

Coordinates	4074064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 N O3 P Pd S
Calculated formula	C29 H32 N O3 P Pd S
SMILES	C[Pd]1([n]2ccccc2)OS(=O)(=O)c2ccc(C)cc2[P]1(c1ccccc1CC)c1ccccc1CC
Title of publication	Ethylene Polymerization by Palladium Alkyl Complexes Containing Bis(aryl)phosphino-toluenesulfonate Ligands
Authors of publication	Vela, Javier; Lief, Graham R.; Shen, Zhongliang; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	26
Pages of publication	6624
a	10.249 ± 0.002 Å
b	22.544 ± 0.004 Å
c	14.59 ± 0.005 Å
α	90°
β	127.194 ± 0.019°
γ	90°
Cell volume	2685.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0418
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178629 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/40.	4074064.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074064.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4074064.cif
46712	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4074064 via cif-deposit CGI script.	4074064.cif