Information card for entry 7720960

Structure parameters

• Formula: C22 H28 Br2 N4 Ni O2
• Calculated formula: C22 H28 Br2 N4 Ni O2
• Title of publication: Structurally characterized Ni(II) complex exhibiting potent anti-Candida activity: Biomolecular interaction mechanism and in silico ADMET insights
• Authors of publication: Saha, Alipe; Maity, Ribhu; Dhara, Gurupada; Brandão, Paula; Pattanayak, Satyajit; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.7151 ± 0.0018 Å
• b: 12.546 ± 0.003 Å
• c: 10.899 ± 0.002 Å
• α: 90°
• β: 116.138 ± 0.006°
• γ: 90°
• Cell volume: 1192.6 ± 0.4 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No