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Information card for entry 2237233
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| Coordinates | 2237233.cif |
|---|---|
| Structure factors | 2237233.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-azaniumyl-2-hydroxyethane-1,2- diyl)dipyridinium] tris[tetrachloridopalladate(II)] |
|---|---|
| Formula | C24 H32 Cl12 N6 O2 Pd3 |
| Calculated formula | C24 H32 Cl12 N6 O2 Pd3 |
| SMILES | [C@@H]([C@H](c1cc[nH+]cc1)O)(c1cc[nH+]cc1)[NH3+].Cl[Pd](Cl)([Cl-])[Cl-].Cl[Pd](Cl)([Cl-])[Cl-].[C@H]([C@@H](c1cc[nH+]cc1)O)(c1cc[nH+]cc1)[NH3+].Cl[Pd](Cl)([Cl-])[Cl-] |
| Title of publication | Bis[(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium] tris[tetrachloridopalladate(II)] |
| Authors of publication | Campos-Gaxiola, Jose J.; Baez-Castro, Alberto; Cruz-Enriquez, Adriana; Hopfl, Herbert; Parra-Hake, Miguel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m65 - m66 |
| a | 7.697 ± 0.0007 Å |
| b | 7.7339 ± 0.0007 Å |
| c | 15.7254 ± 0.0013 Å |
| α | 84.541 ± 0.002° |
| β | 81.314 ± 0.002° |
| γ | 78.717 ± 0.001° |
| Cell volume | 905.4 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
2237233.cif 2237233.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. |
2237233.cif 2237233.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237233.cif 2237233.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. | 2237233.cif 2237233.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237233.cif 2237233.hkl |
| 73462 | 2013-02-20 | cif/ Adding structures of 2237233 via cif-deposit CGI script. |
2237233.cif |
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Users of the data should acknowledge the original authors of the
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