Crystallography Open Database

Information card for entry 1552149

Preview

Coordinates	1552149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Br2 N2 Ni
Calculated formula	C44 H56 Br2 N2 Ni
SMILES	Br[Ni]1(Br)[N](=C2C(=[N]1c1c(C(CC)CC)cccc1C(CC)CC)c1cccc3c1c2ccc3)c1c(cccc1C(CC)CC)C(CC)CC
Title of publication	Bulky yet flexible substituents in insertion polymerization with α-diimine nickel and palladium systems
Authors of publication	Guo, Lihua; Sun, Wenting; Li, Shuaikang; Xu, Guoyong; Dai, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	35
Pages of publication	4866
a	11.341 ± 0.002 Å
b	17.349 ± 0.003 Å
c	20.734 ± 0.003 Å
α	89.688 ± 0.005°
β	82.245 ± 0.006°
γ	88.268 ± 0.005°
Cell volume	4040.4 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
225350 (current)	2019-11-08	cif/ Updating files of 1552149, 1552150 Original log message: Adding full bibliography for 1552149--1552150.cif.	1552149.cif
217421	2019-08-06	cif/ Adding structures of 1552149, 1552150 via cif-deposit CGI script.	1552149.cif