Crystallography Open Database

Information card for entry 4080171

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Structure parameters

Common name	{[Me3NN]Ni}2(m-CO)2
Formula	C24 H29 N2 Ni O
Calculated formula	C24 H29 N2 Ni O
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	22.103 ± 0.015 Å
b	8.942 ± 0.009 Å
c	22.82 ± 0.02 Å
α	90°
β	108.48 ± 0.03°
γ	90°
Cell volume	4278 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1095
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4080171.cif
178690	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080171.cif
85864	2013-05-07	cif/ Adding structures of 4080168, 4080169, 4080170, 4080171 via cif-deposit CGI script.	4080171.cif