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Information card for entry 2017614
Preview
| Coordinates | 2017614.cif |
|---|---|
| Structure factors | 2017614.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaqua-dichlorido-bis(hydroxyethylammonium)cobalt(II) dichloride |
|---|---|
| Formula | C4 H20 Cl4 Co N2 O4 |
| Calculated formula | C4 H20 Cl4 Co N2 O4 |
| SMILES | [Cl-].[Co]([OH2])([OH2])([OH]CC[NH3+])([OH]CC[NH3+])(Cl)Cl.[Cl-] |
| Title of publication | Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride |
| Authors of publication | Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m89 - m96 |
| a | 6.258 ± 0.002 Å |
| b | 6.653 ± 0.003 Å |
| c | 8.369 ± 0.003 Å |
| α | 83.57 ± 0.03° |
| β | 86.37 ± 0.05° |
| γ | 86.19 ± 0.02° |
| Cell volume | 344.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0182 |
| Residual factor for significantly intense reflections | 0.0182 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180845 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/76. |
2017614.cif 2017614.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2017614.cif 2017614.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017614.cif 2017614.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. | 2017614.cif 2017614.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017614.cif 2017614.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2017614.cif 2017614.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2017614.cif |
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