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Information card for entry 2238452
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| Coordinates | 2238452.cif |
|---|---|
| Structure factors | 2238452.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride |
|---|---|
| Formula | C14 H22 Cl2 Co N2 O4 |
| Calculated formula | C14 H22 Cl2 Co N2 O4 |
| SMILES | C1Cc2cccc[n]2[Co]2([OH]1)([OH2])([n]1c(CC[OH]2)cccc1)[OH2].[Cl-].[Cl-] |
| Title of publication | Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride |
| Authors of publication | Zeghouan, Ouahida; Guenifa, Fatiha; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m439 - m440 |
| a | 12.8911 ± 0.0003 Å |
| b | 8.0049 ± 0.0002 Å |
| c | 16.8757 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1741.44 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (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 2/23/84. |
2238452.cif 2238452.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238452.cif 2238452.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238452.cif 2238452.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238452.cif 2238452.hkl |
| 88315 | 2013-09-04 | cif/ Adding structures of 2238452 via cif-deposit CGI script. |
2238452.cif |
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