Crystallography Open Database

Information card for entry 4080168

Preview

Coordinates	4080168.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Me3NN]Ni(CNAr)2
Formula	C41 H47 N4 Ni
Calculated formula	C41 H47 N4 Ni
SMILES	[Ni]1([N](=C(C)C=C(N1c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C
Title of publication	β-Diketiminato Nickel Imides in Catalytic Nitrene Transfer to Isocyanides
Authors of publication	Wiese, Stefan; Aguila, Mae Joanne B.; Kogut, Elzbieta; Warren, Timothy H.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	8
Pages of publication	2300
a	11.1873 ± 0.0016 Å
b	11.9314 ± 0.0017 Å
c	15.713 ± 0.002 Å
α	69.757 ± 0.002°
β	87.328 ± 0.002°
γ	65.752 ± 0.002°
Cell volume	1783 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4080168.cif
85864	2013-05-07	cif/ Adding structures of 4080168, 4080169, 4080170, 4080171 via cif-deposit CGI script.	4080168.cif