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Information card for entry 4348981
Preview
Coordinates | 4348981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H45 F6 N5 O2 P2 Ru |
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Calculated formula | C33 H45 F6 N5 O2 P2 Ru |
SMILES | [Ru]123456([P]78CN9CN(C7)CN(C8)C9)(Oc7n(nc(c7C(=[O]1)C1CCCCC1)C)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety. |
Authors of publication | Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J. |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 22 |
Pages of publication | 11770 - 11781 |
a | 10.8566 ± 0.0014 Å |
b | 22.3 ± 0.004 Å |
c | 15.524 ± 0.003 Å |
α | 90° |
β | 107.607 ± 0.01° |
γ | 90° |
Cell volume | 3582.3 ± 1.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0518 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4348981.html
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Users of the data should acknowledge the original authors of the
structural data.