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Information card for entry 2232617
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| Coordinates | 2232617.cif |
|---|---|
| Structure factors | 2232617.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[<i>cis</i>-aquadibromidocobalt(II)]-μ- (pyrazine-2-carboxylic acid)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] monohydrate] |
|---|---|
| Formula | C5 H8 Br2 Co N2 O4 |
| Calculated formula | C5 H8 Br2 Co N2 O4 |
| SMILES | [Co]1(Br)(Br)([OH2])[O]=C(O)c2[n]1cc[n](c2)[Co]1(Br)(Br)([OH2])[O]=C(O)c2[n]1ccnc2.O.O |
| Title of publication | <i>catena</i>-Poly[[[<i>cis</i>-aquadibromidocobalt(II)]-μ-(pyrazine-2-carboxylic acid)-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] monohydrate] |
| Authors of publication | Dares, Christopher; Fournier, Rene; Lever, A. B. P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1798 - m1799 |
| a | 6.9367 ± 0.0003 Å |
| b | 13.9983 ± 0.0003 Å |
| c | 11.1446 ± 0.0005 Å |
| α | 90° |
| β | 106.043 ± 0.002° |
| γ | 90° |
| Cell volume | 1040.02 ± 0.07 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232617.cif 2232617.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. |
2232617.cif 2232617.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232617.cif 2232617.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. | 2232617.cif 2232617.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232617.cif 2232617.hkl |
| 31490 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232617 via cif-deposit CGI script. |
2232617.cif |
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Users of the data should acknowledge the original authors of the
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