Crystallography Open Database

Information card for entry 4109714

Preview

Coordinates	4109714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N O5 P Pd S
Calculated formula	C28 H30 N O5 P Pd S
SMILES	[Pd]1([P](c2c(S(=O)(=O)O1)cccc2)(c1ccccc1OC)c1ccccc1OC)([n]1c(cccc1C)C)C
Title of publication	Formation of Linear Copolymers of Ethylene and Acrylonitrile Catalyzed by Phosphine Sulfonate Palladium Complexes
Authors of publication	Takuya Kochi; Shusuke Noda; Kenji Yoshimura; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8948 - 8949
a	11.647 ± 0.005 Å
b	10.623 ± 0.004 Å
c	21.468 ± 0.008 Å
α	90°
β	99.2218 ± 0.0015°
γ	90°
Cell volume	2621.8 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.045
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178843 (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 4/10/97.	4109714.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109714.cif
58491	2012-05-28	cif/ Adding structures of 4109714 via cif-deposit CGI script.	4109714.cif