Information card for entry 7714884

Structure parameters

• Formula: C24 H48 Cl2 Cu N14 O7
• Calculated formula: C24 H48 Cl2 Cu N14 O7
• SMILES: [Cu]123(Cl)[N]4(CCNc5nc(N)c(N=O)c(=O)n5C)CC[N]2(C)CC[N]1(CCNc1nc(N)c(N=O)c(=O)n1C)CC[N]3(C)CC4.[Cl-].O.O.O
• Title of publication: Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.
• Authors of publication: Monini, Valeria; Bonechi, Marco; Bazzicalupi, Carla; Bianchi, Antonio; Gentilesca, Pietro; Giurlani, Walter; Innocenti, Massimo; Meoli, Arianna; Romano, Giammarco Maria; Savastano, Matteo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2487 - 2500
• a: 10.7356 ± 0.0014 Å
• b: 13.2246 ± 0.0016 Å
• c: 13.6742 ± 0.0016 Å
• α: 62.602 ± 0.004°
• β: 75.161 ± 0.005°
• γ: 80.721 ± 0.005°
• Cell volume: 1664 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No