Information card for entry 7063099

Structure parameters

• Formula: C28 H24 Cl4 Cu2 N4 O2
• Calculated formula: C28 H24 Cl4 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: 9.949 ± 0.0007 Å
• b: 8.9918 ± 0.0007 Å
• c: 16.3641 ± 0.0012 Å
• α: 90°
• β: 95.912 ± 0.002°
• γ: 90°
• Cell volume: 1456.14 ± 0.19 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 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: 0.0329
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No