Crystallography Open Database

Information card for entry 1568017

Preview

Coordinates	1568017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H70 Br2 Cl2 N2 Ni
Calculated formula	C77 H70 Br2 Cl2 N2 Ni
Title of publication	Synthesis of lightly branched ultrahigh-molecular-weight polyethylene using cationic benzocyclohexyl nickel catalysts
Authors of publication	Yan, Zhengpeng; Chang, Guanru; Zou, Wenping; Luo, Gen; Dai, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	183 - 190
a	15.8351 ± 0.0015 Å
b	23.18 ± 0.002 Å
c	17.8789 ± 0.0018 Å
α	90°
β	103.973 ± 0.004°
γ	90°
Cell volume	6368.4 ± 1 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	0.1312
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
281609 (current)	2023-03-04	cif/ Updating files of 1568017 Original log message: Adding full bibliography for 1568017.cif.	1568017.cif
279579	2022-11-26	cif/ Adding structures of 1568017 via cif-deposit CGI script.	1568017.cif