Crystallography Open Database

Information card for entry 4083717

Preview

Coordinates	4083717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 F6 N O3 P2 Pd Sb
Calculated formula	C30 H34 F6 N O3 P2 Pd Sb
SMILES	C[Pd]1([n]2c(cccc2C)C)[O]=P(c2ccccc2[P]1(c1ccccc1)c1ccccc1)(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	9.912 ± 0.004 Å
b	11.513 ± 0.005 Å
c	14.292 ± 0.006 Å
α	90.576 ± 0.008°
β	98.52 ± 0.008°
γ	94.955 ± 0.008°
Cell volume	1606.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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.	4083717.cif
118021	2014-06-25	cif/ Adding structures of 4083715, 4083716, 4083717, 4083718, 4083719 via cif-deposit CGI script.	4083717.cif