Crystallography Open Database

Information card for entry 7243036

Preview

Coordinates	7243036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 Cl2 Cu N4 O11
Calculated formula	C28 H35 Cl2 Cu N4 O11
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	24.4486 ± 0.0003 Å
b	24.4486 ± 0.0003 Å
c	29.1012 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	15064.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.245
Weighted residual factors for all reflections included in the refinement	0.2739
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7243036.cif