Crystallography Open Database

Information card for entry 1564905

Preview

Coordinates	1564905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 Br N Ni0.5
Calculated formula	C31 H24 Br N Ni0.5
Title of publication	Propylene homopolymerization and copolymerization with ethylene by acenaphthene-based α-diimine nickel complexes to access EPR-like elastomers
Authors of publication	Wang, Beibei; Liu, Heng; Zhang, Chunyu; Tang, Tao; Zhang, Xuequan
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	43
Pages of publication	6307 - 6318
a	29.143 ± 0.004 Å
b	12.407 ± 0.002 Å
c	17.891 ± 0.003 Å
α	90°
β	119.38 ± 0.004°
γ	90°
Cell volume	5637 ± 1.5 Å³
Cell temperature	207 ± 2 K
Ambient diffraction temperature	207 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
271233 (current)	2021-12-07	cif/ Updating files of 1564904, 1564905 Original log message: Adding full bibliography for 1564904--1564905.cif.	1564905.cif
269909	2021-10-13	cif/ Adding structures of 1564904, 1564905 via cif-deposit CGI script.	1564905.cif