Crystallography Open Database

Information card for entry 1559693

Preview

Coordinates	1559693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H42 Br2 N2 Ni
Calculated formula	C41 H42 Br2 N2 Ni
SMILES	[Ni]1(Br)(Br)[N](=C(C(=[N]1CCCC)C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
Title of publication	8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems
Authors of publication	Li, Shuaikang; Dai, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	45
Pages of publication	7199 - 7206
a	9.3405 ± 0.0008 Å
b	10.8596 ± 0.0009 Å
c	18.9774 ± 0.0017 Å
α	75.724 ± 0.001°
β	82.338 ± 0.002°
γ	86.529 ± 0.003°
Cell volume	1848.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0736
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
259465 (current)	2020-12-02	cif/ Adding structures of 1559693, 1559694, 1559695, 1559696 via cif-deposit CGI script.	1559693.cif