Crystallography Open Database

Information card for entry 4132537

Preview

Coordinates	4132537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 Cl O4 P Pd
Calculated formula	C23 H24 Cl O4 P Pd
SMILES	[Pd]1(Cl)([P](c2c(OC)cccc2)(c2c(C(=[O]1)OC)cccc2)c1c(OC)cccc1)C
Title of publication	Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.
Authors of publication	Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8841 - 8850
a	8.9395 ± 0.0003 Å
b	9.5963 ± 0.0004 Å
c	14.4751 ± 0.0006 Å
α	104.785 ± 0.001°
β	100.092 ± 0.001°
γ	106.757 ± 0.001°
Cell volume	1107.37 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0192
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.0497
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
242507 (current)	2019-11-26	cif/ Adding structures of 4132537, 4132538, 4132539, 4132540, 4132541 via cif-deposit CGI script.	4132537.cif