Information card for entry 7719221

Structure parameters

• Formula: C67 H69 Br0.02 Cl2.98 N8 P2 Pd S7
• Calculated formula: C67 H69 Br0.017 Cl2.983 N8 P2 Pd S7
• Title of publication: Synthesis, electronic properties, structural studies, and catalytic activity of peripherally metalated β-η¹-Pd(II)-thioalkyl porphyrazine.
• Authors of publication: Belviso, Sandra; Larotonda, Giuseppe; Santoro, Ernesto; Santarsiere, Alessandro; Tuzi, Angela
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 11563 - 11572
• a: 13.013 ± 0.0019 Å
• b: 14.234 ± 0.0012 Å
• c: 20.382 ± 0.004 Å
• α: 103.771 ± 0.008°
• β: 107.797 ± 0.013°
• γ: 98.259 ± 0.01°
• Cell volume: 3394.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No