Crystallography Open Database

Information card for entry 4132541

Preview

Coordinates	4132541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Cl N O4 P Pd
Calculated formula	C28 H37 Cl N O4 P Pd
SMILES	[Pd]1(Cl)([P](c2c(cccc2)C(=O)O1)(c1ccccc1OC)c1c(OC)cccc1)C.CC[NH+](CC)CC
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	8.7229 ± 0.0004 Å
b	15.938 ± 0.0008 Å
c	20.9835 ± 0.0011 Å
α	90°
β	98.316 ± 0.001°
γ	90°
Cell volume	2886.6 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.1425
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.	4132541.cif