Information card for entry 7718294

Structure parameters

• Formula: C63 H24 Cl F15 N6 Pd2
• Calculated formula: C63 H24 Cl F15 N6 Pd2
• Title of publication: Metal ions control configuration and ¹O₂ generation capacity of hexaphyrin(2.1.2.1.2.1) with embedded benzene.
• Authors of publication: Wu, Jinrong; Lv, Xiaojuan; Xue, Zhaoli; Wang, Yue; Qiu, Fengxian; Xue, Songlin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5255 - 5258
• a: 19.17 ± 0.002 Å
• b: 28.916 ± 0.003 Å
• c: 23.167 ± 0.002 Å
• α: 90°
• β: 112.689 ± 0.005°
• γ: 90°
• Cell volume: 11848 ± 2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1771
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No