Information card for entry 7063098

Structure parameters

• Formula: C28 H24 Br2 Cl2 Cu2 N4 O2
• Calculated formula: C28 H24 Br2 Cl2 Cu2 N4 O2
• Title of publication: Synthesis of copper(ii) complex-functionalized Fe3O4@ISNA (ISNA = isonicotinic acid) as a magnetically recoverable nanomaterial: catalytic studies in alcohol oxidation and nitrophenol reduction, and TD-DFT studies
• Authors of publication: Mondal, Rimpa; Chakraborty, Aratrika; Zangrando, Ennio; Shukla, Madhulata; Chattopadhyay, Tanmay
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 7308 - 7322
• a: 10.0356 ± 0.001 Å
• b: 8.9757 ± 0.0009 Å
• c: 16.4255 ± 0.0016 Å
• α: 90°
• β: 94.951 ± 0.002°
• γ: 90°
• Cell volume: 1474 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No