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Information card for entry 2237242
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| Coordinates | 2237242.cif |
|---|---|
| Structure factors | 2237242.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[tris(acetonitrile-κ<i>N</i>)praseodymium(III)]tris(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')] |
|---|---|
| Formula | C9 H9 F9 N3 O9 Pr S3 |
| Calculated formula | C9 H9 F9 N3 O9 Pr S3 |
| SMILES | [Pr]12(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([N]#CC)([N]#CC)([N]#CC)[O]=S(O[Pr]([O]=S(O1)(=O)C(F)(F)F)(OS(=[O]2)(=O)C(F)(F)F)([N]#CC)([N]#CC)[N]#CC)(=O)C(F)(F)F |
| Title of publication | <i>catena</i>-Poly[[tris(acetonitrile-κ<i>N</i>)praseodymium(III)]tris(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')] |
| Authors of publication | Apostolidis, Christos; Walter, Olaf |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m21 |
| a | 5.8044 ± 0.0006 Å |
| b | 10.5062 ± 0.001 Å |
| c | 18.9887 ± 0.0019 Å |
| α | 97.307 ± 0.001° |
| β | 94.163 ± 0.001° |
| γ | 91.695 ± 0.001° |
| Cell volume | 1144.7 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237242.cif 2237242.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. |
2237242.cif 2237242.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237242.cif 2237242.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. | 2237242.cif 2237242.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237242.cif 2237242.hkl |
| 73471 | 2013-02-20 | cif/ Adding structures of 2237242 via cif-deposit CGI script. |
2237242.cif |
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Users of the data should acknowledge the original authors of the
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