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Information card for entry 2238846
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| Coordinates | 2238846.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Chlorido(η^6^-<i>N</i>^2^-diphenylphosphanyl-<i>N</i>^1^,<i>N</i>^1^-diisopropyl-4-methoxybenzamidine-κ<i>P</i>)(triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethansulfonate acetone disolvate |
|---|---|
| Formula | C51 H58 Cl F3 N2 O6 P2 Ru S |
| Calculated formula | C51 H58 Cl F3 N2 O6 P2 Ru S |
| SMILES | C1(=N[P](c2ccccc2)(c2ccccc2)[Ru]23456([c]71[cH]2[cH]3[c]4([cH]5[cH]67)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)N(C(C)C)C(C)C.C(S(=O)(=O)[O-])(F)(F)F.C(=O)(C)C.C(=O)(C)C |
| Title of publication | Chlorido(η^6^-<i>N</i>^2^-diphenylphosphanyl-<i>N</i>^1^,<i>N</i>^1^-diisopropyl-4-methoxybenzamidine-κ<i>P</i>)(triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethansulfonate acetone disolvate |
| Authors of publication | Kéchaou-Perrot, Manel; Vendier, Laure; Igau, Alain |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | m659 - m660 |
| a | 11.697 ± 0.0002 Å |
| b | 15.026 ± 0.0003 Å |
| c | 29.777 ± 0.0006 Å |
| α | 90° |
| β | 99.864 ± 0.002° |
| γ | 90° |
| Cell volume | 5156.21 ± 0.17 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176798 (current) | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238846.cif |
| 92068 | 2014-01-12 | cif/ Adding structures of 2238846 via cif-deposit CGI script. |
2238846.cif |
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Users of the data should acknowledge the original authors of the
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