Crystallography Open Database

Information card for entry 7226947

Preview

Coordinates	7226947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 Br2 Cl2 N4 Ni Se2
Calculated formula	C31 H34 Br2 Cl2 N4 Ni Se2
SMILES	[Se]1([Ni]2(Br)(Br)([Se](Cn3[n]2c(C)cc3C)c2ccc(cc2)Cl)[n]2n(C1)c(cc2C)C)c1ccc(cc1)Cl.c1cc(C)ccc1
Title of publication	A novel class of nickel(II) complexes containing selenium-based bidentate ligands applied in ethylene oligomerization
Authors of publication	Dresch, Lucielle Codeim; de Araújo, Bruno Bercini; CASAGRANDE, OSVALDO DE LAZARO; Stieler, Rafael
Journal of publication	RSC Adv.
Year of publication	2016
a	7.9476 ± 0.0005 Å
b	13.7447 ± 0.001 Å
c	16.6566 ± 0.0013 Å
α	67.955 ± 0.003°
β	89.956 ± 0.003°
γ	83.98 ± 0.003°
Cell volume	1675.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
211418 (current)	2018-10-12	cif/ Removing the _chemical_name_systematic data item in entries 1545303, 1545441, 1546860, 1546861, 1546862, 1546863, 4345178, 4345179, 4345180, 7041086, 7041087, 7044927, 7044928, 7044929, 7044930, 7044932, 7045258, 7226947 since it contains the summary chemical formula instead of the systematic chemical name.	7226947.cif
187617	2016-10-27	cif/ Adding structures of 7226947 via cif-deposit CGI script.	7226947.cif