Crystallography Open Database

Information card for entry 4120945

4120944 << 4120945 >> 4120946

Preview

Coordinates	4120945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H55 N2 Ni Si2
Calculated formula	C31 H55 N2 Ni Si2
SMILES	c1(c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Ni](C)N(c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C
Title of publication	A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition
Authors of publication	Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	15298 - 15301
a	11.8649 ± 0.0013 Å
b	17.206 ± 0.002 Å
c	17.3304 ± 0.0019 Å
α	82.23 ± 0.005°
β	71.21 ± 0.005°
γ	88.85 ± 0.005°
Cell volume	3317.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0551
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178986 (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 4/12/09.	4120945.cif
107054	2014-03-17	cif/ Adding structures of 4120945 via cif-deposit CGI script.	4120945.cif