Crystallography Open Database

Information card for entry 7056863

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Structure parameters

Common name	[Cu(N3)(en(isopropyl)2]2
Formula	C16 H40 Cu2 N16
Calculated formula	C16 H40 Cu2 N16
SMILES	[Cu]12([N]([Cu]3([N]1=N#N)(N=N#N)[NH](CC[NH]3C(C)C)C(C)C)=N#N)(N=N#N)[NH](CC[NH]2C(C)C)C(C)C
Title of publication	Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality
Authors of publication	Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	4
Pages of publication	2627
a	11.873 ± 0.001 Å
b	12.0334 ± 0.0011 Å
c	19.5852 ± 0.0014 Å
α	90°
β	107.191 ± 0.009°
γ	90°
Cell volume	2673.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0451
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7056863.cif
230281	2019-11-17	cif/ Updating files of 7056862, 7056863, 7056864, 7056865 Original log message: Adding full bibliography for 7056862--7056865.cif.	7056863.cif
204969	2018-01-09	cif/ Adding structures of 7056862, 7056863, 7056864, 7056865 via cif-deposit CGI script.	7056863.cif