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Information card for entry 7010765
Preview
| Coordinates | 7010765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H31 B9 N3 Ta |
|---|---|
| Calculated formula | C9 H31 B9 N3 Ta |
| SMILES | [Ta]1234(N(C)C)(N(C)C)(N(C)C)[CH]567[CH]89%10[B]%1115(C)[BH]159[BH]93%11[BH]3%114[BH]426[BH]278[BH]634[BH]%1012[BH]59%116 |
| Title of publication | Synthesis of isomeric B-methylated tantalum carboranes, (Me2N)3TaC2B9H10Me† |
| Authors of publication | Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.; Yufit, Dimitrii S. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 15 |
| Pages of publication | 2263 |
| a | 7.614 ± 0.002 Å |
| b | 18.192 ± 0.004 Å |
| c | 13.584 ± 0.003 Å |
| α | 90° |
| β | 98.89 ± 0.03° |
| γ | 90° |
| Cell volume | 1859 ± 0.8 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.023 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| 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. |
7010765.cif |
| 179811 | 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 7/01/07. |
7010765.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010765.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010765.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010765.cif |
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