Information card for entry 7714883

Structure parameters

• Formula: C56 H96 Cl4 N12 O16 Pd2 S4
• Calculated formula: C56 H90 Cl4 N12 O16 Pd2 S4
• 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: 9.8464 ± 0.0003 Å
• b: 18.5362 ± 0.0007 Å
• c: 21.2826 ± 0.0008 Å
• α: 97.607 ± 0.002°
• β: 99.894 ± 0.002°
• γ: 100.807 ± 0.002°
• Cell volume: 3704 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No