Information card for entry 7708049

Structure parameters

• Formula: C38 H36 Br4 Cu2 N4 O8
• Calculated formula: C38 H36 Br4 Cu2 N4 O8
• 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: 9.588 ± 0.0013 Å
• b: 18.991 ± 0.003 Å
• c: 21.486 ± 0.003 Å
• α: 90°
• β: 96.693 ± 0.005°
• γ: 90°
• Cell volume: 3885.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No