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Information card for entry 7103754
Preview
| Coordinates | 7103754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H72 B18 N4 O2 |
|---|---|
| Calculated formula | C38 H72 B18 N4 O2 |
| SMILES | O=C(Nc1ccc([C]234[BH]567[BH]892[BH]2%103[BH]345[BH]45%10[BH]%1092[BH]268[BH]734[BH]5%102)cc1)c1ccc(C(=O)Nc2ccc([C]345[BH]678[BH]9%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]379[BH]845[BH]6%113)cc2)cc1.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC |
| Title of publication | Polyhedral monocarbaborane chemistry. Routes to neutral, monoanionic and dianionic carbo-carbaborane-rods. |
| Authors of publication | John D. Kennedy; Neil J. Bullen; Andreas Franken; Colin A. Kilner |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 14.2528 ± 0.0001 Å |
| b | 24.5742 ± 0.0003 Å |
| c | 14.4015 ± 0.0001 Å |
| α | 90° |
| β | 102.923 ± 0.001° |
| γ | 90° |
| Cell volume | 4916.38 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0773 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.1882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71069 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. |
7103754.cif |
| 180140 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37. |
7103754.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103754.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103754.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103754.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103754.cif |
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