Information card for entry 7714639

Structure parameters

• Chemical name: abhijeet
• Formula: C58 H56 F7 N2 O3 P5 Ru S
• Calculated formula: C58 H56 F7 N2 O3 P5 Ru S
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Oc1nc(c(F)c[n]31)O.[P](F)(F)(F)(F)(F)[F-].S(=O)(C)C
• Title of publication: Hyphenation of lipophilic ruthenium(II)-diphosphine core with 5-fluorouracil: an effective metallodrug against glioblastoma brain cancer cells.
• Authors of publication: Saha, Abhijit; Mondal, Indranil; Kumari, Anuj; Sonkar, Avinash Kumar; Mishra, Ramranjan; Kulshreshtha, Ritu; Patra, Ashis K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1551 - 1567
• a: 14.5354 ± 0.0004 Å
• b: 20.8155 ± 0.0006 Å
• c: 17.9751 ± 0.0005 Å
• α: 90°
• β: 93.641 ± 0.001°
• γ: 90°
• Cell volume: 5427.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No