Information card for entry 7715253

Structure parameters

• Formula: C56 H32 F10 N4 Pd
• Calculated formula: C56 H32 F10 N4 Pd
• SMILES: [Pd]123[n]4c5=C(c6n2c(cc6)c2c(c6ccc(n36)C(=c3[n]1c(cc3)c1c(cccc1)c4cc5)c1c(F)c(F)c(F)c(F)c1F)cccc2)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)C.c1c(cccc1)C
• Title of publication: Porphyrin(2.1.2.1) organopalladium complexes as efficient singlet oxygen sensitizers.
• Authors of publication: Lv, Xiaojuan; Dong, Yuting; Wu, Jinrong; Jiang, Tao; Chen, Feng; Zhang, Tao; Qiu, Fengxian; Xue, Songlin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5979 - 5984
• a: 26.8686 ± 0.0007 Å
• b: 23.8617 ± 0.0006 Å
• c: 14.1565 ± 0.0004 Å
• α: 90°
• β: 103.247 ± 0.001°
• γ: 90°
• Cell volume: 8834.7 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No