Crystallography Open Database

Information card for entry 7243506

Preview

Coordinates	7243506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N4.5 O4.5 Zn
Calculated formula	C23 H30 N2 O6 Zn
SMILES	[OH2][Zn]123Oc4c(cccc4OCC)C=[N]2CC(C[N]3=Cc2cccc(OCC)c2O1)(C)C.O
Title of publication	Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions
Authors of publication	Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	48
Pages of publication	30148 - 30155
a	26.205 ± 0.011 Å
b	25.903 ± 0.011 Å
c	14.652 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	9946 ± 7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7243506.cif
269086	2021-09-10	cif/ Adding structures of 7243506 via cif-deposit CGI script.	7243506.cif