Crystallography Open Database

Information card for entry 1557601

Preview

Coordinates	1557601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H67 Cl F8 N2 Pd
Calculated formula	C77 H67 Cl F8 N2 Pd
Title of publication	A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species
Authors of publication	Li, Shuaikang; Xu, Guoyong; Dai, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	15
Pages of publication	2692 - 2699
a	15.332 ± 0.0014 Å
b	36.69 ± 0.003 Å
c	14.7501 ± 0.0013 Å
α	90°
β	114.377 ± 0.005°
γ	90°
Cell volume	7557.7 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.1897
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.2685
Weighted residual factors for all reflections included in the refinement	0.2977
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257948 (current)	2020-10-06	cif/ Updating files of 1557600, 1557601 Original log message: Adding full bibliography for 1557600--1557601.cif.	1557601.cif
251741	2020-05-05	cif/ Updating files of 1557600, 1557601 Original log message: Adding full bibliography for 1557600--1557601.cif.	1557601.cif
249348	2020-03-13	cif/ Adding structures of 1557600, 1557601 via cif-deposit CGI script.	1557601.cif