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Information card for entry 2237598
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| Coordinates | 2237598.cif |
|---|---|
| Structure factors | 2237598.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Chlorido(methylamine)bis(propane-1,3-diamine)cobalt(III) dichloride monohydrate |
|---|---|
| Formula | C7 H27 Cl3 Co N5 O |
| Calculated formula | C7 H27 Cl3 Co N5 O |
| SMILES | C1CC[NH2][Co]2([NH2]1)([NH2]CCC[NH2]2)([NH2]C)Cl.O.[Cl-].[Cl-] |
| Title of publication | <i>cis</i>-Chlorido(methylamine)bis(propane-1,3-diamine)cobalt(III) dichloride monohydrate |
| Authors of publication | Maheshwaran, Velusamy; Manjunathan, Munisamy; Anbalagan, Krishnamoorthy; Thiruselvam, Viswanathan; Ponnuswamy, Mondikalipudur Nanjappagounder |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m205 - m206 |
| a | 7.4752 ± 0.0006 Å |
| b | 7.9065 ± 0.0006 Å |
| c | 14.4663 ± 0.0013 Å |
| α | 76.022 ± 0.006° |
| β | 76.907 ± 0.007° |
| γ | 73.779 ± 0.004° |
| Cell volume | 784.96 ± 0.12 Å3 |
| Cell temperature | 292 K |
| Ambient diffraction temperature | 292 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181297 (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 2/23/75. |
2237598.cif 2237598.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. |
2237598.cif 2237598.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2237598.cif 2237598.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. |
2237598.cif 2237598.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237598.cif 2237598.hkl |
| 85329 | 2013-05-07 | cif/ Adding structures of 2237598 via cif-deposit CGI script. |
2237598.cif |
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Users of the data should acknowledge the original authors of the
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