Crystallography Open Database

Information card for entry 1557624

Preview

Coordinates	1557624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 Cl4 N O3 P2 Pd
Calculated formula	C38 H45 Cl4 N O3 P2 Pd
SMILES	[Pd]1([P](c2c(c3c(OC)cccc3OC)cccc2)(c2n(P(=[O]1)(C(C)(C)C)C(C)(C)C)c1c(cccc1)c2)c1ccccc1)(Cl)C.ClC(Cl)Cl
Title of publication	Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers
Authors of publication	Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	15
Pages of publication	2740 - 2748
a	10.2352 ± 0.0004 Å
b	14.3325 ± 0.0005 Å
c	14.817 ± 0.0005 Å
α	65.248 ± 0.001°
β	83.2 ± 0.001°
γ	79.814 ± 0.001°
Cell volume	1940.4 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.0587
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257949 (current)	2020-10-06	cif/ Updating files of 1557622, 1557623, 1557624 Original log message: Adding full bibliography for 1557622--1557624.cif.	1557624.cif
251742	2020-05-05	cif/ Updating files of 1557622, 1557623, 1557624 Original log message: Adding full bibliography for 1557622--1557624.cif.	1557624.cif
249523	2020-03-19	cif/ Adding structures of 1557622, 1557623, 1557624 via cif-deposit CGI script.	1557624.cif