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Information card for entry 4338319
Preview
Coordinates | 4338319.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Ruthenium(II) (?5-cyclopentadienyl)-chloro-triphenylphosphine- N-(2-acetoxy)ethyl-1, 3, 5-triaza-7-phosphaadamantane-P] hexafluorophosphate |
---|---|
Formula | C33 H39 Cl F6 N3 O2 P3 Ru |
Calculated formula | C33 H39 Cl F6 N3 O2 P3 Ru |
SMILES | [Ru]1234(Cl)([P]56C[N+]7(CN(C5)CN(C6)C7)CCOC(=O)C)([cH]5[cH]1[cH]2[cH]3[cH]45)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Acetylcholine-like and Trimethylglycine-like PTA (1,3,5-Triaza-7-phosphaadamantane) Derivatives for the Development of Innovative Ru- and Pt-Based Therapeutic Agents. |
Authors of publication | Ferretti, Valeria; Fogagnolo, Marco; Marchi, Andrea; Marvelli, Lorenza; Sforza, Fabio; Bergamini, Paola |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 10 |
Pages of publication | 4881 - 4890 |
a | 9.3552 ± 0.0003 Å |
b | 14.1403 ± 0.0005 Å |
c | 14.898 ± 0.0006 Å |
α | 68.377 ± 0.0016° |
β | 75.999 ± 0.0015° |
γ | 75.979 ± 0.003° |
Cell volume | 1751.87 ± 0.11 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0692 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1415 |
Weighted residual factors for all reflections included in the refinement | 0.1541 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4338319.html
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Users of the data should acknowledge the original authors of the
structural data.