Crystallography Open Database

Information card for entry 1516926

Preview

Coordinates	1516926.cif

Structure parameters

Formula	C38 H44 Br2 N2 Ni
Calculated formula	C38 H44 Br2 N2 Ni
SMILES	c1(cc(cc(c1[N]1[Ni](Br)(Br)[N](c2c(cc([C@@H](c3ccccc3)C)cc2CC)C)=C(C=1C)C)CC)[C@H](c1ccccc1)C)C
Title of publication	Chiral {bis[N,N'-(2-ethyl-6-methylphenyl)imino]-1,2-dimethylethane} dibromonickel bearing sec-phenethyl groups: Synthesis, characterization and application in synthesis of nanosized dendritic polyethylene
Authors of publication	Jianchao Yuan; Fengying Song; Jing Li; Zong Jia; Fuzhou Wang; Bingnian Yuan
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	99 - 106
a	12.214 ± 0.01 Å
b	25.21 ± 0.02 Å
c	12.436 ± 0.011 Å
α	90°
β	106.149 ± 0.009°
γ	90°
Cell volume	3678 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2789
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.296
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516926.cif
119644	2014-07-08	cif/ Adding structures of 1516926 via cif-deposit CGI script.	1516926.cif