Information card for entry 7713589

Structure parameters

• Formula: C67 H58 B Cl P2 Ru
• Calculated formula: C67 H58 B Cl P2 Ru
• SMILES: [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]5[cH]4[cH]3[cH]2[cH]16)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers
• Authors of publication: Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.47706 ± 0.00006 Å
• b: 16.55786 ± 0.0001 Å
• c: 15.24231 ± 0.00009 Å
• α: 90°
• β: 98.9266 ± 0.0005°
• γ: 90°
• Cell volume: 2612.17 ± 0.03 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No