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Information card for entry 2233309
Preview
| Coordinates | 2233309.cif |
|---|---|
| Structure factors | 2233309.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-3-carboxylate-κ<i>N</i>)cobalt(III) |
|---|---|
| Formula | C16 H23 Cl Co N5 O6 |
| Calculated formula | C16 H23 Cl Co N5 O6 |
| SMILES | [Co]12(Cl)([N](O)=C(C(=[N]1O)C)C)(N(=O)=C(C(=N2=O)C)C)[n]1cccc(c1)C(=O)OCC |
| Title of publication | Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-3-carboxylate-κ<i>N</i>)cobalt(III) |
| Authors of publication | Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m20 |
| a | 8.1961 ± 0.0011 Å |
| b | 14.2224 ± 0.0019 Å |
| c | 17.365 ± 0.002 Å |
| α | 90° |
| β | 98.34 ± 0.002° |
| γ | 90° |
| Cell volume | 2002.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233309.cif 2233309.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. |
2233309.cif 2233309.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233309.cif 2233309.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. | 2233309.cif 2233309.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233309.cif 2233309.hkl |
| 32375 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233309 via cif-deposit CGI script. |
2233309.cif |
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Users of the data should acknowledge the original authors of the
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