Information card for entry 7718293

Structure parameters

• Formula: C64 H27 Cl2 F15 N6 Ni
• Calculated formula: C64 H27 Cl2 F15 N6 Ni
• 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: 12.4402 ± 0.0008 Å
• b: 40.906 ± 0.002 Å
• c: 10.2419 ± 0.0005 Å
• α: 90°
• β: 93.779 ± 0.002°
• γ: 90°
• Cell volume: 5200.6 ± 0.5 ų
• Cell temperature: 242.3 K
• Ambient diffraction temperature: 242.3 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: 0.1324
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No