Crystallography Open Database

Information card for entry 4132540

Preview

Coordinates	4132540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H49 Cl N2 O3 P2 Pd
Calculated formula	C33 H49 Cl N2 O3 P2 Pd
SMILES	[Pd]1(Cl)([P](c2c(P(=[O]1)(N(C(C)C)C(C)C)N(C(C)C)C(C)C)cccc2)(c1ccccc1OC)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	9.6631 ± 0.0006 Å
b	21.6925 ± 0.0014 Å
c	17.1226 ± 0.001 Å
α	90°
β	105.858 ± 0.001°
γ	90°
Cell volume	3452.6 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4132540.cif