Information card for entry 7715264

Structure parameters

• Formula: C44 H36.4 F12 N6 O2.2 P2 Ru
• Calculated formula: C44 H34 F12 N6 O P2 Ru
• SMILES: [Ru]123([n]4c(c5[n]1ccc(c5)C)cc(cc4)/C=C/C(=O)c1cc4ccccc4cc1)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mitochondria-targeted ruthenium(II) complexes for photodynamic therapy and GSH detection in living cells.
• Authors of publication: Zhang, Wanqing; Chen, Weibin; Fu, Fengfu; Li, Mei-Jin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5957 - 5965
• a: 9.902 ± 0.0017 Å
• b: 12.91 ± 0.002 Å
• c: 18.288 ± 0.003 Å
• α: 88.353 ± 0.005°
• β: 74.769 ± 0.005°
• γ: 87.246 ± 0.005°
• Cell volume: 2252.8 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1112
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No