Information card for entry 7714687

Structure parameters

• Formula: C24 H40 Cu N2 O3
• Calculated formula: C24 H40 Cu N2 O3
• SMILES: [Cu]12(Oc3c(C=[N]2CC(C[N]1(C)C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)OC(=O)C
• Title of publication: Zeolite-encapsulated copper(II) complexes with NNO-tridentate Schiff base ligands: catalytic activity for methylene blue (MB) degradation under near neutral conditions.
• Authors of publication: Li, Shuyu; Wu, Die; Wang, Xiting; Xiong, Jiaxing; Zhang, Li; Ma, Kaili
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1517 - 1527
• a: 9.4658 ± 0.0002 Å
• b: 13.3186 ± 0.0004 Å
• c: 13.3608 ± 0.0004 Å
• α: 64.194 ± 0.001°
• β: 72.956 ± 0.001°
• γ: 82.65 ± 0.001°
• Cell volume: 1449.83 ± 0.07 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No