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Information card for entry 2239582
Preview
| Coordinates | 2239582.cif |
|---|---|
| Structure factors | 2239582.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(μ~2~-diphenylphosphinamide-κ^2^<i>O</i>:<i>O</i>)bis[bis(diphenylphosphinamide-κ<i>O</i>)lithium] dichloride acetonitrile disolvate |
|---|---|
| Formula | C76 H78 Cl2 Li2 N8 O6 P6 |
| Calculated formula | C76 H78 Cl2 Li2 N8 O6 P6 |
| SMILES | [Li]1([O]=P(c2ccccc2)(N)c2ccccc2)([O]=P(c2ccccc2)(N)c2ccccc2)[O](=P(c2ccccc2)(N)c2ccccc2)[Li]([O]=P(c2ccccc2)(N)c2ccccc2)([O]=P(c2ccccc2)(N)c2ccccc2)[O]1=P(c1ccccc1)(N)c1ccccc1.N#CC.[Cl-].N#CC.[Cl-] |
| Title of publication | Bis(μ~2~-diphenylphosphinamide-κ^2^<i>O</i>:<i>O</i>)bis[bis(diphenylphosphinamide-κ<i>O</i>)lithium] dichloride acetonitrile disolvate |
| Authors of publication | Li, Ai-Hong; Han, Jun-Ping; Li, Jing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m224 |
| a | 11.5625 ± 0.0007 Å |
| b | 12.5552 ± 0.0008 Å |
| c | 13.7686 ± 0.0009 Å |
| α | 82.559 ± 0.001° |
| β | 76.515 ± 0.001° |
| γ | 89.897 ± 0.001° |
| Cell volume | 1926.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239582.cif 2239582.hkl |
| 181895 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239582.cif 2239582.hkl |
| 181314 | 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 2/23/95. |
2239582.cif 2239582.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. |
2239582.cif 2239582.hkl |
| 114122 | 2014-05-22 | cif/ hkl/ Adding structures of 2239582 via cif-deposit CGI script. |
2239582.cif 2239582.hkl |
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Users of the data should acknowledge the original authors of the
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