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Information card for entry 2238043
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| Coordinates | 2238043.cif |
|---|---|
| Structure factors | 2238043.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate |
|---|---|
| Formula | C40 H36 N14 O4 Pt |
| Calculated formula | C40 H36 N14 O4 Pt |
| SMILES | c1(c2ccccn2)[nH]c(c(n1)c1[nH+]cccc1)c1ncccc1.N#C[Pt](C#N)(C#N)C#N.O.O.c1(c2ccccn2)[nH]c(c(n1)c1[nH+]cccc1)c1ncccc1.O.O |
| Title of publication | Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate |
| Authors of publication | Gámez-Heredia, Raquel; Navarro, Rosa E.; Höpfl, Herbert; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m300 - m301 |
| a | 20.958 ± 0.005 Å |
| b | 12.048 ± 0.003 Å |
| c | 15.403 ± 0.003 Å |
| α | 90° |
| β | 95.483 ± 0.003° |
| γ | 90° |
| Cell volume | 3871.5 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181302 (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 2/23/80. |
2238043.cif 2238043.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. |
2238043.cif 2238043.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238043.cif 2238043.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238043.cif 2238043.hkl |
| 86753 | 2013-07-11 | cif/ Adding structures of 2238043 via cif-deposit CGI script. |
2238043.cif |
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Users of the data should acknowledge the original authors of the
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