Crystallography Open Database

Information card for entry 7243037

Preview

Coordinates	7243037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl2 Co N4 O4
Calculated formula	C24 H20 Cl2 Co N4 O4
SMILES	[Co](Cl)(Cl)([n]1cccc(c1)C=O)([n]1cccc(c1)C=O)([n]1cccc(c1)C=O)[n]1cccc(c1)C=O
Title of publication	Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes
Authors of publication	Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	33
Pages of publication	20216 - 20231
a	7.7191 ± 0.0015 Å
b	36.122 ± 0.007 Å
c	8.4932 ± 0.0017 Å
α	90°
β	92.41 ± 0.03°
γ	90°
Cell volume	2366.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1276
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
266346 (current)	2021-06-10	cif/ Adding structures of 7243036, 7243037, 7243038 via cif-deposit CGI script.	7243037.cif