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Information card for entry 7000370
Preview
| Coordinates | 7000370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H32 B F24 Ir N4 |
|---|---|
| Calculated formula | C47 H32 B F24 Ir N4 |
| Title of publication | Weakly coordinating counter-ions for highly efficient catalysis of intramolecular hydroamination |
| Authors of publication | Dabb, Serin L.; Ho, Joanne H. H.; Hodgson, Richard; Messerle, Barbara A.; Wagler, Jörg |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 4 |
| Pages of publication | 634 |
| a | 14.9389 ± 0.0003 Å |
| b | 15.8085 ± 0.0002 Å |
| c | 20.8606 ± 0.0004 Å |
| α | 107.512 ± 0.001° |
| β | 92.128 ± 0.001° |
| γ | 91.166 ± 0.001° |
| Cell volume | 4692.34 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7000370.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7000370.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000370.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000370.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000370.cif |
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Users of the data should acknowledge the original authors of the
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