Crystallography Open Database

Information card for entry 4346785

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Structure parameters

Formula	C40 H58 N4
Calculated formula	C40 H58 N4
SMILES	n1(c([n+](cc1)C1CCCCC1)C(=N\c1c(cccc1C(C)C)C(C)C)\[N-]c1c(cccc1C(C)C)C(C)C)C1CCCCC1
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	18.5722 ± 0.0006 Å
b	11.27 ± 0.0005 Å
c	17.4935 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3661.5 ± 0.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4346785.cif
231981	2019-11-23	cif/ Adding structures of 4346785, 4346786, 4346787, 4346788, 4346789, 4346790, 4346791, 4346792, 4346793 via cif-deposit CGI script.	4346785.cif