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Information card for entry 2233058
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| Coordinates | 2233058.cif |
|---|---|
| Structure factors | 2233058.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) |
|---|---|
| Formula | C18 H12 Br2 Mn N6 |
| Calculated formula | C18 H12 Br2 Mn N6 |
| SMILES | [Mn]12(Br)(Br)[n]3c(nc(nc3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2 |
| Title of publication | Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II) |
| Authors of publication | Ha, Kwang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1655 |
| a | 8.7095 ± 0.0019 Å |
| b | 10.498 ± 0.002 Å |
| c | 11.213 ± 0.003 Å |
| α | 110.094 ± 0.004° |
| β | 98.471 ± 0.004° |
| γ | 91.82 ± 0.005° |
| Cell volume | 948.6 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233058.cif 2233058.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. |
2233058.cif 2233058.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233058.cif 2233058.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. | 2233058.cif 2233058.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233058.cif 2233058.hkl |
| 31953 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233058 via cif-deposit CGI script. |
2233058.cif |
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Users of the data should acknowledge the original authors of the
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