Crystallography Open Database

Information card for entry 1571184

Preview

Coordinates	1571184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H72 Br2 N2 Ni
Calculated formula	C86 H72 Br2 N2 Ni
Title of publication	High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts
Authors of publication	Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	1437 - 1452
a	20.98915 ± 0.00015 Å
b	17.36611 ± 0.00009 Å
c	20.56133 ± 0.00013 Å
α	90°
β	110.078 ± 0.0008°
γ	90°
Cell volume	7039.14 ± 0.08 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 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	0.0604
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.2423
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation probe	x-ray
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
291070 (current)	2024-04-05	cif/ Updating files of 1571184, 1571185, 1571186 Original log message: Adding full bibliography for 1571184--1571186.cif.	1571184.cif
290402	2024-03-08	cif/ Adding structures of 1571184, 1571185, 1571186 via cif-deposit CGI script.	1571184.cif