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Information card for entry 7004394
Preview
| Coordinates | 7004394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H60 O4 Rh4 Si2 |
|---|---|
| Calculated formula | C36 H60 O4 Rh4 Si2 |
| SMILES | [Rh]1234([O]5[Rh]678([O]9[Rh]%10%11%12([O]([Rh]%13%14%15([O]1[Si]9(C)C)[CH]1=[CH]%13CC[CH]%14=[CH]%15CC1)[Si]5(C)C)[CH]1=[CH]%10CC[CH]%11=[CH]%12CC1)[CH]1=[CH]6CC[CH]7=[CH]8CC1)[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 | 11.7331 ± 0.0002 Å |
| b | 18.52 ± 0.0003 Å |
| c | 19.0441 ± 0.0003 Å |
| α | 111.723 ± 0.001° |
| β | 97.088 ± 0.001° |
| γ | 97.293 ± 0.001° |
| Cell volume | 3747.5 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| 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. |
7004394.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. |
7004394.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004394.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004394.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. | 7004394.cif |
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