Crystallography Open Database

Information card for entry 7249408

Preview

Coordinates	7249408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Br2 N2 O4 Zn
Calculated formula	C22 H26 Br2 N2 O4 Zn
Title of publication	Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions
Authors of publication	Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	42
Pages of publication	30896 - 30911
a	12.5138 ± 0.0005 Å
b	11.9667 ± 0.0004 Å
c	16.7858 ± 0.0007 Å
α	90°
β	108.173 ± 0.001°
γ	90°
Cell volume	2388.27 ± 0.16 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1997
Weighted residual factors for all reflections included in the refinement	0.2263
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
294939 (current)	2024-09-29	cif/ Adding structures of 7249406, 7249407, 7249408 via cif-deposit CGI script.	7249408.cif