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Information card for entry 2237452
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| Coordinates | 2237452.cif |
|---|---|
| Structure factors | 2237452.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride |
|---|---|
| Formula | C8 H27 Cl3 Co N5 |
| Calculated formula | C8 H27 Cl3 Co N5 |
| SMILES | C1CC[NH2][Co]2([NH2]1)([NH2]CCC[NH2]2)([NH2]CC)Cl.[Cl-].[Cl-] |
| Title of publication | <i>cis</i>-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride |
| Authors of publication | Maheshwaran, Velusamy; Thiruselvam, Viswanathan; Manjunathan, Munisamy; Anbalagan, Krishnamoorthy; Ponnuswamy, Mondikalipudur Nanjappa Gounder |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m170 - m171 |
| a | 7.8847 ± 0.0004 Å |
| b | 8.0627 ± 0.0004 Å |
| c | 12.6526 ± 0.0005 Å |
| α | 102.78 ± 0.003° |
| β | 99.936 ± 0.004° |
| γ | 92.58 ± 0.004° |
| Cell volume | 769.76 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0319 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0587 |
| Weighted residual factors for all reflections included in the refinement | 0.0601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (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 2/23/74. |
2237452.cif 2237452.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. |
2237452.cif 2237452.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2237452.cif 2237452.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. |
2237452.cif 2237452.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237452.cif 2237452.hkl |
| 78732 | 2013-04-02 | cif/ Adding structures of 2237452 via cif-deposit CGI script. |
2237452.cif |
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Users of the data should acknowledge the original authors of the
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