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Information card for entry 7044778
Preview
| Coordinates | 7044778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 Cl N4 O Pt S |
|---|---|
| Calculated formula | C16 H19 Cl N4 O Pt S |
| Title of publication | Preparation and characterization of terdentate [C,N,N] acetophenone and acetylpyridine hydrazone platinacycles. A DFT insight into the reaction mechanism |
| Authors of publication | Marcos, Ismael; Ojea, Vicente; Vazquez-Garcia, Digna; Fernández Sánchez, Jesús José; Fernández, Alberto; Lopez-Torres, Margarita; Lado, Jorge; VILA, JOSE M |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 10.197 ± 0.005 Å |
| b | 7.101 ± 0.005 Å |
| c | 12.014 ± 0.003 Å |
| α | 90° |
| β | 99.124 ± 0.002° |
| γ | 90° |
| Cell volume | 858.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203210 (current) | 2017-11-15 | cif/ Adding structures of 7044778, 7044779 via cif-deposit CGI script. |
7044778.cif |
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