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Information card for entry 2236202
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| Coordinates | 2236202.cif |
|---|---|
| Structure factors | 2236202.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[2-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II) monohydrate |
|---|---|
| Formula | C13 H15 Cl2 Mn N3 O |
| Calculated formula | C13 H13 Cl2 Mn N3 O |
| SMILES | [Mn]12(Cl)(Cl)[n]3ccccc3CC[N]1=Cc1[n]2cccc1.O |
| Title of publication | Dichlorido[2-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II) monohydrate |
| Authors of publication | Tinguiano, Daniel; Thiam, Ibrahima Elhadj; Dieng, Moussa; Gaye, Mohamed; Retailleau, Pascal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1250 |
| a | 19.173 ± 0.003 Å |
| b | 8.826 ± 0.001 Å |
| c | 18.088 ± 0.002 Å |
| α | 90° |
| β | 94.009 ± 0.002° |
| γ | 90° |
| Cell volume | 3053.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.7107 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. |
2236202.cif 2236202.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. |
2236202.cif 2236202.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236202.cif 2236202.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. | 2236202.cif 2236202.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. |
2236202.cif 2236202.hkl |
| 69769 | 2012-12-21 | cif/ Adding structures of 2236202 via cif-deposit CGI script. |
2236202.cif |
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Users of the data should acknowledge the original authors of the
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