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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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179486 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/83. |
4338319.cif |
| 115703 | 2014-06-05 | cif/ Updating files of 4338319 Original log message: Adding full bibliography for 4338319.cif. |
4338319.cif |
| 112936 | 2014-05-07 | cif/ Adding structures of 4338319 via cif-deposit CGI script. |
4338319.cif |
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