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Information card for entry 2238238
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| Coordinates | 2238238.cif |
|---|---|
| Structure factors | 2238238.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Bromido(methylamine)bis(propane-1,3-diamine)cobalt(III) dibromide |
|---|---|
| Formula | C7 H25 Br3 Co N5 |
| Calculated formula | C7 H25 Br3 Co N5 |
| SMILES | C1CC[NH2][Co]2([NH2]1)([NH2]CCC[NH2]2)([NH2]C)Br.[Br-].[Br-] |
| Title of publication | <i>cis</i>-Bromido(methylamine)bis(propane-1,3-diamine)cobalt(III) dibromide |
| Authors of publication | Kannan, P. S.; Ganeshraja, A. S.; Anbalagan, K.; Govindan, E.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m374 - m375 |
| a | 13.4418 ± 0.0002 Å |
| b | 8.3088 ± 0.0001 Å |
| c | 15.1538 ± 0.0002 Å |
| α | 90° |
| β | 110.61 ± 0.02° |
| γ | 90° |
| Cell volume | 1584.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1178 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.2171 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238238.cif 2238238.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2238238.cif 2238238.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238238.cif 2238238.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238238.cif 2238238.hkl |
| 87493 | 2013-08-27 | cif/ Adding structures of 2238238 via cif-deposit CGI script. |
2238238.cif |
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Users of the data should acknowledge the original authors of the
structural data.