Information card for entry 7714633

Structure parameters

• Formula: C36 H30 B Cl F4 N3 Ru
• Calculated formula: C36 H30 B Cl F4 N3 Ru
• SMILES: [Ru]123456(Cl)([n]7c(c8[n]1c(n1ccccc81)c1c8ccccc8cc8c1cccc8)cccc7)[cH]1[cH]2[c]6([cH]3[cH]4[c]51C)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Design of an anticancer organoruthenium complex as the guest and polydiacetylene-coated fluorogenic nanocarrier as the host: engineering nanocarrier using ene-yne conjugation for sustained guest release, enhanced anticancer activity and reduced <i>in vivo</i> toxicity.
• Authors of publication: Sumithaa, Chezhiyan; Gajda-Morszewski, Przemyslaw; Ishaniya, Wickneswaran; Khamrang, Themmila; Velusamy, Marappan; Bhuvanesh, Nattamai; Brindell, Malgorzata; Mazuryk, Olga; Ganeshpandian, Mani
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 966 - 985
• a: 9.4427 ± 0.0007 Å
• b: 16.5209 ± 0.0013 Å
• c: 20.958 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3269.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No