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Information card for entry 7041114
Preview
| Coordinates | 7041114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H39 F6 N6 O7 P Ru S2 |
|---|---|
| Calculated formula | C43 H39 F6 N6 O7 P Ru S2 |
| SMILES | c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1c(c2cccc[n]32)cccc1)[N](=Cc1c(cccc1)[P]4(c1ccccc1)c1ccccc1)N(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O |
| Title of publication | Heteroleptic mononuclear compounds of ruthenium(ii): synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos. |
| Authors of publication | Lenis-Rojas, O A; Fernandes, A. R.; Roma-Rodrigues, C; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J; Sánchez, L; Vázquez-García, D; Torres, M López; Fernández, A; Fernández, J J |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 47 |
| Pages of publication | 19127 - 19140 |
| a | 16.7005 ± 0.0019 Å |
| b | 17.633 ± 0.002 Å |
| c | 30.174 ± 0.004 Å |
| α | 90° |
| β | 100.816 ± 0.005° |
| γ | 90° |
| Cell volume | 8727.8 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7041114.cif |
| 190202 | 2017-01-09 | cif/ Updating files of 7041113, 7041114, 7041115, 7041116 Original log message: Adding full bibliography for 7041113--7041116.cif. |
7041114.cif |
| 188026 | 2016-11-08 | cif/ Adding structures of 7041113, 7041114, 7041115, 7041116 via cif-deposit CGI script. |
7041114.cif |
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