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Information card for entry 2232131
Preview
| Coordinates | 2232131.cif |
|---|---|
| Structure factors | 2232131.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) iodide monohydrate |
|---|---|
| Formula | C24 H22 I2 Mn N6 O3 |
| Calculated formula | C24 H22 I2 Mn N6 O3 |
| SMILES | [Mn]12(I)([OH2])([OH2])[n]3c(c4[n]1cccc4)c(nc(c1ncccc1)c3c1[n]2cccc1)c1ncccc1.[I-].O |
| Title of publication | Diaquaiodido(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) iodide monohydrate |
| Authors of publication | Ha, Kwang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1333 |
| a | 7.977 ± 0.003 Å |
| b | 13.88 ± 0.005 Å |
| c | 12.134 ± 0.004 Å |
| α | 90° |
| β | 97.944 ± 0.007° |
| γ | 90° |
| Cell volume | 1330.6 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0718 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (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 2/23/21. |
2232131.cif 2232131.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. |
2232131.cif 2232131.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232131.cif 2232131.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. | 2232131.cif 2232131.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232131.cif 2232131.hkl |
| 29427 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232131 via cif-deposit CGI script. |
2232131.cif |
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Users of the data should acknowledge the original authors of the
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