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Information card for entry 2232885
Preview
| Coordinates | 2232885.cif |
|---|---|
| Structure factors | 2232885.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[dibromidomanganese(II)]-μ-2,2'-bipyrimidine- κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^]dihydrate] |
|---|---|
| Formula | C8 H10 Br2 Mn N4 O2 |
| Calculated formula | C8 H10 Br2 Mn N4 O2 |
| SMILES | Br[Mn]12(Br)([n]3ccc[n]4[Mn](Br)(Br)[n]5ccc[n]1c5c34)[n]1cccnc1c1nccc[n]21.O.O.O.O |
| Title of publication | <i>catena</i>-Poly[[[dibromidomanganese(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^]dihydrate] |
| 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 | m1848 |
| a | 17.95 ± 0.009 Å |
| b | 8.263 ± 0.004 Å |
| c | 10.188 ± 0.005 Å |
| α | 90° |
| β | 123.888 ± 0.008° |
| γ | 90° |
| Cell volume | 1254.4 ± 1.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| 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 |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232885.cif 2232885.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. |
2232885.cif 2232885.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232885.cif 2232885.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. | 2232885.cif 2232885.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232885.cif 2232885.hkl |
| 31769 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232885 via cif-deposit CGI script. |
2232885.cif |
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Users of the data should acknowledge the original authors of the
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