Crystallography Open Database

Information card for entry 4132539

Preview

Coordinates	4132539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 Cl O3 P2 Pd
Calculated formula	C29 H39 Cl O3 P2 Pd
SMILES	[Pd]1([P](c2ccccc2P(=[O]1)(C(C)(C)C)C(C)(C)C)(c1c(OC)cccc1)c1ccccc1OC)(Cl)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	10.2642 ± 0.0003 Å
b	15.4645 ± 0.0005 Å
c	18.4446 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2927.72 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4132539.cif