Crystallography Open Database

Information card for entry 4105084

Preview

Coordinates	4105084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cl4 N O5 P Pd S
Calculated formula	C28 H28 Cl4 N O5 P Pd S
Title of publication	Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine-Sulfonate Complexes: Experiment and Theoretical Studies
Authors of publication	Shusuke Noda; Akifumi Nakamura; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14088 - 14100
a	13.566 ± 0.004 Å
b	15.65 ± 0.005 Å
c	29.776 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	6322 ± 3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0396
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178796 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/50.	4105084.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105084.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105084.cif
30276	2011-11-11	../uploads/cif-deposit/cod/cif Adding structures of 4105084 via cif-deposit CGI script.	4105084.cif