Crystallography Open Database

Information card for entry 4132538

Preview

Coordinates	4132538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 Cl O5 P2 Pd
Calculated formula	C25 H31 Cl O5 P2 Pd
SMILES	[Pd]1([P](c2ccccc2OC)(c2ccccc2OC)c2ccccc2P(=[O]1)(OCC)OCC)(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	8.8242 ± 0.0003 Å
b	18.5471 ± 0.0006 Å
c	16.3705 ± 0.0006 Å
α	90°
β	103.122 ± 0.001°
γ	90°
Cell volume	2609.29 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0484
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.0394
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4132538.cif