Crystallography Open Database

Information card for entry 1558930

Preview

Coordinates	1558930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl N O3 P Pd
Calculated formula	C23 H25 Cl N O3 P Pd
SMILES	[Pd]1([P](N(C(=[O]1)c1ccccc1)C)(c1c(OC)cccc1)c1c(OC)cccc1)(Cl)C
Title of publication	A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers
Authors of publication	Cui, Lei; Jian, Zhongbao
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	38
Pages of publication	6187 - 6193
a	8.633 ± 0.0004 Å
b	10.4214 ± 0.0005 Å
c	16.3267 ± 0.0008 Å
α	78.073 ± 0.001°
β	86.924 ± 0.001°
γ	70.447 ± 0.001°
Cell volume	1354.1 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
258993 (current)	2020-11-06	cif/ Updating files of 1558929, 1558930 Original log message: Adding full bibliography for 1558929--1558930.cif.	1558930.cif
255734	2020-08-29	cif/ Adding structures of 1558929, 1558930 via cif-deposit CGI script.	1558930.cif