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Information card for entry 4068789
Preview
| Coordinates | 4068789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H30 B I N4 |
|---|---|
| Calculated formula | C24 H30 B I N4 |
| SMILES | [BH2]([n]1cn(cc1)c1c(C)cc(cc1C)C)[n]1cn(cc1)c1c(cc(cc1C)C)C.[I-] |
| Title of publication | Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination |
| Authors of publication | Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 6 |
| Pages of publication | 1730 |
| a | 8.2566 ± 0.0001 Å |
| b | 19.2495 ± 0.0003 Å |
| c | 8.841 ± 0.0001 Å |
| α | 90° |
| β | 115.216 ± 0.001° |
| γ | 90° |
| Cell volume | 1271.25 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068789.cif |
| 178577 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/87. |
4068789.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068789.cif |
| 39975 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068787, 4068788, 4068789, 4068790, 4068791 via cif-deposit CGI script. |
4068789.cif |
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Users of the data should acknowledge the original authors of the
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