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Information card for entry 4072723
Preview
| Coordinates | 4072723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 2 |
|---|---|
| Formula | C16 H31 B11 Br6 P Rh |
| Calculated formula | C16 H31 B11 Br6 P Rh |
| SMILES | [Rh]1234([P](C5C[CH]1=[CH]2C5)(C1CCCC1)C1CCCC1)[Br][B]1256[BH]789[CH]%10%11%12[BH]%13%14%15[BH]%167%10[B]7%10%15([B]%15%17%14([BH]%14%12%13[BH]18%11[B]5%15%14([B]6%10%17([B]29%167Br)[Br]4)[Br]3)Br)Br |
| Title of publication | Rhodium Phosphine Olefin Complexes of the Weakly Coordinating Anions [BArF4]-and [1-closo-CB11H6Br6]-. Kinetic versus Thermodynamic Factors in Anion Coordination and Complex Reactivity |
| Authors of publication | Douglas, Thomas M.; Molinos, Eduardo; Brayshaw, Simon K.; Weller, Andrew S. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 463 |
| a | 12.9014 ± 0.0001 Å |
| b | 13.8202 ± 0.0001 Å |
| c | 16.3616 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2917.27 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.039 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178616 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/27. |
4072723.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072723.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072723.cif |
| 45969 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072722, 4072723 via cif-deposit CGI script. |
4072723.cif |
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