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Information card for entry 7713589
Preview
Coordinates | 7713589.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H58 B Cl P2 Ru |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713589.html
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