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Information card for entry 7013098
Preview
| Coordinates | 7013098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H72 As2 Li6 N4 O4 |
|---|---|
| Calculated formula | C64 H72 As2 Li6 N4 O4 |
| SMILES | [Li]123[N]45(c6c([O]2c2ccccc2)cccc6)[Li]2[N]6([As]4CCCC)([Li]4([CH2]12CCC)[O](c1c6cccc1)c1ccccc1)[Li]12[N]64(c4c([O]2c2ccccc2)cccc4)[Li]2[N]43([As]6CCCC)[Li]5([CH2]12CCC)[O](c1c4cccc1)c1ccccc1 |
| Title of publication | A bis(imido)organoarsenate dianion incorporating n-butyllithium |
| Authors of publication | Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Slattery, John M. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 11 |
| Pages of publication | 2103 |
| a | 10.996 ± 0.002 Å |
| b | 21.075 ± 0.004 Å |
| c | 12.603 ± 0.003 Å |
| α | 90° |
| β | 95.78 ± 0.03° |
| γ | 90° |
| Cell volume | 2905.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
| 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. |
7013098.cif |
| 179834 | 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 7/01/30. |
7013098.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013098.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013098.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013098.cif |
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