Crystallography Open Database

Information card for entry 1556375

Preview

Coordinates	1556375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Br2 N4 Ni
Calculated formula	C18 H22 Br2 N4 Ni
Title of publication	Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride
Authors of publication	Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James
Journal of publication	Catalysis Science & Technology
Year of publication	2013
Journal volume	3
Journal issue	12
Pages of publication	3130
a	9.3446 ± 0.0018 Å
b	14.994 ± 0.003 Å
c	15.681 ± 0.003 Å
α	75.599 ± 0.01°
β	78.411 ± 0.01°
γ	81.522 ± 0.011°
Cell volume	2073.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1531
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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
244408 (current)	2019-11-28	cif/ Adding structures of 1556373, 1556374, 1556375 via cif-deposit CGI script.	1556375.cif