Crystallography Open Database

Information card for entry 2023583

2023582 << 2023583 >> 2023584

Preview

Coordinates	2023583.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(4-Bromo-2-{[(2-hydroxyethyl)imino]methyl}phenololato-\ κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)copper(II)–\ 5-bromo-2-hydroxybenzaldehyde–water (2/1/1)
Formula	C27 H25 Br3 Cu2 N4 O7 S2
Calculated formula	C27 H25 Br3 Cu2 N4 O7 S2
Title of publication	Crystal structure of a copper complex containing the 4-bromo-2-{[(2-hydroxyethyl)imino]methyl}phenol base Schiff ligand
Authors of publication	Niang, Adama; Mane, Elhadji Sékou; Mazzeo, Paolo Pio; Ka, Diéwo; Diouf, Ousmane; Gaye, Mohamed Lamine; Thiam, Ibrahima Elhadji; Bacchi, Alessia
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	10
Pages of publication	1213 - 1216
a	18.44 ± 0.0005 Å
b	13.7346 ± 0.0003 Å
c	13.6402 ± 0.0003 Å
α	90°
β	103.136 ± 0.001°
γ	90°
Cell volume	3364.2 ± 0.14 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
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	0.0531
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
306932 (current)	2026-09-30	cif/ Adding structures of 2023583 via cif-deposit CGI script.	2023583.cif