Crystallography Open Database

Information card for entry 7705752

Preview

Coordinates	7705752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 Cl Cu N2 O3
Calculated formula	C30 H37 Cl Cu N2 O3
SMILES	[Cu]123(Cl)[OH]c4c(cc(C(C)(C)C)cc4C(C)(C)C)C[N]3(C(C(=O)O1)Cc1ccccc1)Cc1[n]2cccc1
Title of publication	Cu(ii) and V(iv)O complexes with tri- or tetradentate ligands based on (2-hydroxybenzyl)-l-alanines reveal promising anticancer therapeutic potential.
Authors of publication	Ribeiro, Nádia; Bulut, Ipek; Cevatemre, Buse; Teixeira, Carlos; Yildizhan, Yasemin; André, Vânia; Adão, Pedro; Pessoa, João Costa; Acilan, Ceyda; Correia, Isabel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	1
Pages of publication	157 - 169
a	32.453 ± 0.006 Å
b	10.493 ± 0.002 Å
c	20.097 ± 0.004 Å
α	90°
β	113.66 ± 0.03°
γ	90°
Cell volume	6268 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
261639 (current)	2021-02-05	cif/ Updating files of 7705752 Original log message: Adding full bibliography for 7705752.cif.	7705752.cif
259390	2020-12-01	cif/ Adding structures of 7705752 via cif-deposit CGI script.	7705752.cif