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Information card for entry 7000314
Preview
| Coordinates | 7000314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H30 N2 O8 P2 Ru3 S |
|---|---|
| Calculated formula | C35 H30 N2 O8 P2 Ru3 S |
| SMILES | [Ru]1234([Ru]56([Ru]1([S]25)(C#[O])(C#[O])([C]46=O)C#[N]CC)([P](N[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].CO |
| Title of publication | Reactivity of the zwitterionic ligand EtNHC(S)Ph2PNPPh2C(S)NEt towards [Ru3(CO)12]. Sulfur transfer and ligand fragmentation leading to the methideylamide [-N(Et)-CH(R)-] μ3-bridging moiety |
| Authors of publication | Delferro, Massimiliano; Pattacini, Roberto; Cauzzi, Daniele; Graiff, Claudia; Terenghi, Mattia; Predieri, Giovanni; Tiripicchio, Antonio |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 3 |
| Pages of publication | 544 - 549 |
| a | 20.304 ± 0.009 Å |
| b | 9.91 ± 0.005 Å |
| c | 20.779 ± 0.009 Å |
| α | 90° |
| β | 110.97 ± 0.05° |
| γ | 90° |
| Cell volume | 3904 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179681 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03. |
7000314.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000314.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000314.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000314.cif |
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