Information card for entry 1549709

Structure parameters

• Formula: C39 H33 F12 N7 P2 Ru
• Calculated formula: C39 H33 F12 N7 P2 Ru
• SMILES: [Ru]123([N]#CC)([n]4c5ccccc5ccc4c4[n]1c(ccc4)c1[n]2c2c(cc1)cccc2)[n]1ccc(cc1c1[n]3ccc(c1)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.
• Authors of publication: Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 32
• Pages of publication: 6711 - 6720
• a: 11.0216 ± 0.0004 Å
• b: 14.4762 ± 0.0005 Å
• c: 14.5765 ± 0.0006 Å
• α: 83.804 ± 0.001°
• β: 85.851 ± 0.001°
• γ: 69.748 ± 0.001°
• Cell volume: 2167.64 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No