Crystallography Open Database

Information card for entry 7024502

Preview

Coordinates	7024502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 Br2 N6 Ni
Calculated formula	C16 H26 Br2 N6 Ni
Title of publication	A comparison between nickel and palladium precatalysts of 1,2,4-triazole based N-heterocyclic carbenes in hydroamination of activated olefins.
Authors of publication	Dash, Chandrakanta; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2515 - 2524
a	11.5509 ± 0.0013 Å
b	16.5181 ± 0.0016 Å
c	22.475 ± 0.002 Å
α	90°
β	104.068 ± 0.011°
γ	90°
Cell volume	4159.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1322
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
179950 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/45.	7024502.cif
92538	2014-01-12	cif/ Adding structures of 7024499, 7024500, 7024501, 7024502 via cif-deposit CGI script.	7024502.cif