Information card for entry 7708050

Structure parameters

• Formula: C28 H41 Br2 Cl2 Cu2 N2 O17.5
• Calculated formula: C28 H41 Br2 Cl2 Cu2 N2 O17.5
• Title of publication: Azide-mediated unusual in situ transformation of Mannich base to Schiff-Mannich base and isolation of their Cu(II) complexes: crystal structure, theoretical inspection and anticancer activities
• Authors of publication: Das, Debasis; Mukherjee, Somali; Hansda, Sili; Nandi, Sudeshna; Acharya, Krishnendu; Chakraborty, Tonmoy; Samanta, Debabrata
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 11.1007 ± 0.001 Å
• b: 18.4273 ± 0.0016 Å
• c: 18.8427 ± 0.0017 Å
• α: 90°
• β: 90.913 ± 0.003°
• γ: 90°
• Cell volume: 3853.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.128
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No