Crystallography Open Database

Information card for entry 1556373

Preview

Coordinates	1556373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 Br2 Cl2 N4 Ni
Calculated formula	C19 H24 Br2 Cl2 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	14.2034 ± 0.0007 Å
b	11.5066 ± 0.0007 Å
c	14.6836 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2399.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	1556373.cif