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Information card for entry 7011523
Preview
| Coordinates | 7011523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | nido-^t^BuMeHN-7-CB~10~H~12~ |
|---|---|
| Formula | C6 H25 B10 N |
| Calculated formula | C6 H25 B10 N |
| SMILES | [BH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]91([C]68([BH]734[H]5)[NH+](C)C(C)(C)C)[H]%11 |
| Title of publication | A convenient cyanide-free “one-pot” synthesis of nido-Me3N-7-CB10H12 and nido-7-CB10H13− |
| Authors of publication | Batsanov, Andrei S.; Fox, Mark A.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 13 |
| Pages of publication | 2624 |
| a | 11.3418 ± 0.0014 Å |
| b | 8.8099 ± 0.0011 Å |
| c | 13.775 ± 0.0015 Å |
| α | 90° |
| β | 95.852 ± 0.004° |
| γ | 90° |
| Cell volume | 1369.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011523.cif |
| 179819 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15. |
7011523.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011523.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011523.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011523.cif |
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