Information card for entry 2023583

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 ų
• 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 Fobs: No