Crystallography Open Database

Information card for entry 4083716

Preview

Coordinates	4083716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 F6 N O3 P2 Pd Sb
Calculated formula	C25 H42 F6 N O3 P2 Pd Sb
SMILES	C[Pd]1([n]2c(cccc2C)C)[O]=P(c2ccc(cc2[P]1(C(C)C)C(C)C)C)(OCC)OCC.F[Sb](F)(F)(F)(F)[F-]
Title of publication	Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands
Authors of publication	Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2014
Pages of publication	140623145555006
a	14.542 ± 0.007 Å
b	13.03 ± 0.006 Å
c	19.49 ± 0.007 Å
α	90°
β	124.79 ± 0.02°
γ	90°
Cell volume	3033 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0577
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178726 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/37.	4083716.cif
118021	2014-06-25	cif/ Adding structures of 4083715, 4083716, 4083717, 4083718, 4083719 via cif-deposit CGI script.	4083716.cif