Crystallography Open Database

Information card for entry 1557600

Preview

Coordinates	1557600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H75 Cl N2 Pd
Calculated formula	C77 H75 Cl 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	13.1908 ± 0.0006 Å
b	27.7405 ± 0.0013 Å
c	18.6474 ± 0.0007 Å
α	90°
β	92.509 ± 0.002°
γ	90°
Cell volume	6816.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.105
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1557600.cif
251741	2020-05-05	cif/ Updating files of 1557600, 1557601 Original log message: Adding full bibliography for 1557600--1557601.cif.	1557600.cif
249348	2020-03-13	cif/ Adding structures of 1557600, 1557601 via cif-deposit CGI script.	1557600.cif