Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068316
Preview
| Coordinates | 4068316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H34 F3 N O4 P Rh S2 |
|---|---|
| Calculated formula | C31 H34 F3 N O4 P Rh S2 |
| SMILES | [Rh]1234([P](c5ccccc5)(N(S(=[O]1)C(C)(C)C)Cc1ccccc1)c1ccccc1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.S(=O)(=O)(C(F)(F)F)[O-] |
| 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 | 9.7222 ± 0.0005 Å |
| b | 32.6857 ± 0.0014 Å |
| c | 10.6449 ± 0.0005 Å |
| α | 90° |
| β | 113.619 ± 0.001° |
| γ | 90° |
| Cell volume | 3099.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4063530 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209983 (current) | 2018-08-20 | cif/4/ Updating bibliography in entries 4063530, 4068316, 4082272. Marking entries 4068316, 4082272 as duplicates of entry 4063530. |
4068316.cif |
| 178573 | 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 4/06/83. |
4068316.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068316.cif |
| 89308 | 2013-10-20 | smi/4 Adding SMILES of phosphane complexes |
4068316.cif |
| 39644 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068316 via cif-deposit CGI script. |
4068316.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.