Crystallography Open Database

Information card for entry 4346789

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Structure parameters

Formula	C32 H45 Cu N4 O2
Calculated formula	C32 H45 Cu N4 O2
SMILES	[Cu](OC(=O)C)N(C(=N\c1c(C(C)C)cccc1C(C)C)\c1n(C)cc[n+]1C)c1c(C(C)C)cccc1C(C)C
Title of publication	Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.
Authors of publication	Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	11007 - 11017
a	10.9841 ± 0.0005 Å
b	17.9692 ± 0.0008 Å
c	16.161 ± 0.0007 Å
α	90°
β	96.057 ± 0.001°
γ	90°
Cell volume	3172 ± 0.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4346789.cif
231981	2019-11-23	cif/ Adding structures of 4346785, 4346786, 4346787, 4346788, 4346789, 4346790, 4346791, 4346792, 4346793 via cif-deposit CGI script.	4346789.cif