Crystallography Open Database

Information card for entry 1550337

Preview

Coordinates	1550337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Cl2 O5 P S
Calculated formula	C31 H39 Cl2 O5 P S
SMILES	S(=O)(=O)(c1c([P@H+]([C@H]2[C@@H](CC[C@H](C2)C)C(C)C)c2ccccc2c2c(cccc2OC)OC)cccc1)[O-].C(Cl)Cl
Title of publication	Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers
Authors of publication	Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	4
Pages of publication	546
a	22.6855 ± 0.0008 Å
b	22.6855 ± 0.0008 Å
c	10.7563 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4793.9 ± 0.4 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
225338 (current)	2019-11-08	cif/ Updating files of 1550337, 1550338 Original log message: Adding full bibliography for 1550337--1550338.cif.	1550337.cif
212430	2018-12-07	cif/ Adding structures of 1550337, 1550338 via cif-deposit CGI script.	1550337.cif