Crystallography Open Database

Information card for entry 4080169

Preview

Coordinates	4080169.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Me2NN]Ni}2(m-NAd)
Formula	C52 H62 N5 Ni2 O0.5
Calculated formula	C52 H62 N5 Ni2 O0.5
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	10.6222 ± 0.0006 Å
b	21.5359 ± 0.0011 Å
c	20.3535 ± 0.0011 Å
α	90°
β	93.514 ± 0.001°
γ	90°
Cell volume	4647.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0535
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080169.cif
85864	2013-05-07	cif/ Adding structures of 4080168, 4080169, 4080170, 4080171 via cif-deposit CGI script.	4080169.cif