Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7004398
Preview
| Coordinates | 7004398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H55 N2 Rh |
|---|---|
| Calculated formula | C37 H55 N2 Rh |
| SMILES | [Rh]1234([N](=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
| Title of publication | Flexible coordination of bulky amidinates and guanidinates towards rhodium(i): conversion of kinetic to thermodymanic isomers |
| Authors of publication | Jones, Cameron; Mills, David P.; Stasch, Andreas |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 35 |
| Pages of publication | 4799 - 4804 |
| a | 18.725 ± 0.004 Å |
| b | 16.203 ± 0.003 Å |
| c | 11.48 ± 0.002 Å |
| α | 90° |
| β | 106.75 ± 0.03° |
| γ | 90° |
| Cell volume | 3335.3 ± 1.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7004398.cif |
| 179747 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/43. |
7004398.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004398.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004398.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004398.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.