Crystallography Open Database

Information card for entry 4348171

Preview

Coordinates	4348171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cu N4 O2
Calculated formula	C24 H24 Cu N4 O2
SMILES	[Cu]123N(c4c(N3C(=O)[C@@H]([NH2]1)Cc1ccccc1)cccc4)C(=O)[C@@H]([NH2]2)Cc1ccccc1
Title of publication	Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.
Authors of publication	Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7617 - 7629
a	10.1351 ± 0.0002 Å
b	10.5175 ± 0.0002 Å
c	11.9667 ± 0.0002 Å
α	81.1495 ± 0.0017°
β	67.742 ± 0.002°
γ	62.348 ± 0.002°
Cell volume	1045.34 ± 0.04 Å³
Cell temperature	199.95 ± 0.1 K
Ambient diffraction temperature	199.95 ± 0.1 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254024 (current)	2020-07-06	cif/4 Fixing Z values and formulae	4348171.cif
232809	2019-11-23	cif/ Adding structures of 4348167, 4348168, 4348169, 4348170, 4348171, 4348172 via cif-deposit CGI script.	4348171.cif