Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029125
Preview
| Coordinates | 7029125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chloro(propanoyl-(3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl- 2,2'-diyl)phosphite)bis(triphenylphosphine)rhodium(I) |
|---|---|
| Chemical name | Chloro(propanoyl-(3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl- 2,2'-diyl)phosphite)bis(triphenylphosphine)rhodium(I) |
| Formula | C67 H75 Cl O4 P3 Rh |
| Calculated formula | C67 H75 Cl O4 P3 Rh |
| SMILES | [Rh](Cl)([P]1(Oc2c(cc(cc2c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)OC(=O)CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their synthesis and ligand rearrangements. |
| Authors of publication | Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3479 - 3491 |
| a | 23.139 ± 0.004 Å |
| b | 11.654 ± 0.002 Å |
| c | 23.57 ± 0.005 Å |
| α | 90° |
| β | 109.147 ± 0.004° |
| γ | 90° |
| Cell volume | 6004.3 ± 1.9 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1818 |
| Residual factor for significantly intense reflections | 0.1326 |
| Weighted residual factors for significantly intense reflections | 0.289 |
| Weighted residual factors for all reflections included in the refinement | 0.334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179997 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91. |
7029125.cif |
| 105518 | 2014-03-12 | cif/ Adding structures of 7029122, 7029123, 7029124, 7029125, 7029126 via cif-deposit CGI script. |
7029125.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.