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Information card for entry 2236731
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| Coordinates | 2236731.cif |
|---|---|
| Structure factors | 2236731.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetato-κ^2^<i>O</i>,<i>O</i>')(acetato-κ<i>O</i>)bis(2-amino-3- methylpyridine-κ<i>N</i>^1^)cobalt(II) |
|---|---|
| Formula | C16 H22 Co N4 O4 |
| Calculated formula | C16 H22 Co N4 O4 |
| SMILES | [Co]1(OC(=O)C)([O]=C(O1)C)([n]1c(N)c(C)ccc1)[n]1c(N)c(C)ccc1 |
| Title of publication | (Acetato-κ^2^<i>O</i>,<i>O</i>')(acetato-κ<i>O</i>)bis(2-amino-3-methylpyridine-κ<i>N</i>^1^)cobalt(II) |
| Authors of publication | Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1260 - m1261 |
| a | 8.1685 ± 0.0016 Å |
| b | 10.452 ± 0.002 Å |
| c | 12.231 ± 0.002 Å |
| α | 69.58 ± 0.03° |
| β | 79.94 ± 0.03° |
| γ | 72.42 ± 0.03° |
| Cell volume | 930.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.113 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181289 (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 2/23/67. |
2236731.cif 2236731.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. |
2236731.cif 2236731.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236731.cif 2236731.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. | 2236731.cif 2236731.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236731.cif 2236731.hkl |
| 70334 | 2012-12-21 | cif/ Adding structures of 2236731 via cif-deposit CGI script. |
2236731.cif |
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Users of the data should acknowledge the original authors of the
structural data.