Crystallography Open Database

Information card for entry 7246464

Preview

Coordinates	7246464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O4
Calculated formula	C22 H20 N2 O4
SMILES	O1c2c([C@@H]3Oc4c([C@H]1N3c1nccc(c1)C)cccc4OC)cccc2OC.O1c2c([C@H]3Oc4c([C@@H]1N3c1nccc(c1)C)cccc4OC)cccc2OC
Title of publication	Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes
Authors of publication	Siedzielnik, Magdalena; Pawłowska, Monika; Daśko, Mateusz; Kleinschmidt, Hubert; Dołęga, Anna
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	13
Pages of publication	8830 - 8843
a	8.9262 ± 0.0004 Å
b	9.3131 ± 0.0004 Å
c	11.4785 ± 0.0005 Å
α	87.538 ± 0.004°
β	85.441 ± 0.004°
γ	68.748 ± 0.003°
Cell volume	886.41 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
281927 (current)	2023-03-17	cif/ Adding structures of 7246459, 7246460, 7246461, 7246462, 7246463, 7246464, 7246465 via cif-deposit CGI script.	7246464.cif