Crystallography Open Database

Information card for entry 4328257

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Structure parameters

Formula	C11 H22 Cu N5
Calculated formula	C11 H22 Cu N5
SMILES	[Cu]1(N(N(C)C)C(=CC(=[N]1N(C)C)C)C)[N]#CC
Title of publication	Cu(I)/O2 Chemistry Using a β-Diketiminate Supporting Ligand Derived from N,N-Dimethylhydrazine: A [Cu3O2]3+ Complex with Novel Reactivity
Authors of publication	Aalo K. Gupta; William B. Tolman
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1881 - 1888
a	10.4434 ± 0.0018 Å
b	10.0699 ± 0.0018 Å
c	13.658 ± 0.002 Å
α	90°
β	94.526 ± 0.002°
γ	90°
Cell volume	1431.9 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
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	0.0541
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4328257.cif
179385	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/82.	4328257.cif
77207	2013-03-24	cif/ Adding structures of 4328257 via cif-deposit CGI script.	4328257.cif