Crystallography Open Database

Information card for entry 4121285

Preview

Coordinates	4121285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H55 N2 Ni Si2
Calculated formula	C34 H55 N2 Ni Si2
SMILES	[Ni](=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)C([Si](C)(C)C)[Si](C)(C)C
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	20.346 ± 0.002 Å
b	15.4644 ± 0.0016 Å
c	23.164 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7288.3 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1168
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.	4121285.cif
107475	2014-03-19	cif/ Adding structures of 4121285 via cif-deposit CGI script.	4121285.cif