Crystallography Open Database

Information card for entry 4121288

Preview

Coordinates	4121288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H58 Br N2 Ni Si2
Calculated formula	C37 H58 Br N2 Ni Si2
Title of publication	Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes
Authors of publication	Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18272 - 18275
a	12.369 ± 0.003 Å
b	16.924 ± 0.003 Å
c	18.452 ± 0.004 Å
α	90°
β	108.08 ± 0.03°
γ	90°
Cell volume	3671.9 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1833
Residual factor for significantly intense reflections	0.1001
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121288.cif
107479	2014-03-19	cif/ Adding structures of 4121288 via cif-deposit CGI script.	4121288.cif