Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063533
Preview
| Coordinates | 4063533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H76 F3 N2 O5 P2 Rh S3 |
|---|---|
| Calculated formula | C47 H76 F3 N2 O5 P2 Rh S3 |
| SMILES | [Rh]12([S](N([P]1(C1CCCCC1)C1CCCCC1)Cc1ccccc1)(=O)C(C)(C)C)[S](N([P]2(C1CCCCC1)C1CCCCC1)Cc1ccccc1)(=O)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide Ligands: Synthesis, Structure, and Coordination Modes |
| Authors of publication | Achard, Thierry; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 480 - 487 |
| a | 15.1868 ± 0.0006 Å |
| b | 17.2369 ± 0.0006 Å |
| c | 19.5574 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5119.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178530 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35. |
4063533.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063533.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063533.cif |
| 22905 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4063533 via cif-deposit CGI script. |
4063533.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.