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Information card for entry 2236294
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| Coordinates | 2236294.cif |
|---|---|
| Structure factors | 2236294.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraamminelithium triamminelithium trisulfide |
|---|---|
| Formula | H21 Li2 N7 S3 |
| Calculated formula | H21 Li2 N7 S3 |
| SMILES | [Li]([NH3])([NH3])([NH3])[NH3].[Li](SS[S-])([NH3])([NH3])[NH3] |
| Title of publication | Tetraamminelithium triamminelithium trisulfide, [Li(NH~3~)~4~][Li(NH~3~)~3~S~3~] |
| Authors of publication | Guentner, Christian; Korber, Nikolaus |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | i84 - i85 |
| a | 12.422 ± 0.003 Å |
| b | 9.3721 ± 0.0019 Å |
| c | 22.269 ± 0.005 Å |
| α | 90° |
| β | 92.46 ± 0.03° |
| γ | 90° |
| Cell volume | 2590.2 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181284 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/62. |
2236294.cif 2236294.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236294.cif 2236294.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236294.cif 2236294.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236294.cif 2236294.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236294.cif 2236294.hkl |
| 69863 | 2012-12-21 | cif/ Adding structures of 2236294 via cif-deposit CGI script. |
2236294.cif |
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Users of the data should acknowledge the original authors of the
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