Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7000313
Preview
| Coordinates | 7000313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 N3 O7 P2 Ru3 S |
|---|---|
| Calculated formula | C37 H31 N3 O7 P2 Ru3 S |
| SMILES | [Ru]123([Ru]45([Ru]([S]14)(C#[O])(C#[O])(C#[N]CC)C(P(=N[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]35CC)(C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| 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 | 33.751 ± 0.005 Å |
| b | 10.518 ± 0.002 Å |
| c | 22.346 ± 0.002 Å |
| α | 90° |
| β | 97.27 ± 0.03° |
| γ | 90° |
| Cell volume | 7869 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1091 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.81 |
| 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. |
7000313.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000313.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000313.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000313.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.