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Information card for entry 2228915
Preview
| Coordinates | 2228915.cif |
|---|---|
| Structure factors | 2228915.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis[μ-4-(diethylamino)benzoato- κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide- κ<i>N</i>^1^)cobalt(II)] |
|---|---|
| Formula | C64 H84 Co2 N8 O10 |
| Calculated formula | C64 H84 Co2 N8 O10 |
| SMILES | [n]1(cccc(c1)C(=O)N(CC)CC)[Co]1234[O]=C(O[Co]4([n]4cccc(c4)C(=O)N(CC)CC)([O]=C(c4ccc(cc4)N(CC)CC)O3)([O]=C(c3ccc(cc3)N(CC)CC)O2)OC(=[O]1)c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1 |
| Title of publication | Tetrakis[μ-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)cobalt(II)] |
| Authors of publication | Hökelek, Tuncer; Sağlam, Ertuğrul Gazi; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m28 - m29 |
| a | 10.3518 ± 0.0002 Å |
| b | 13.4393 ± 0.0002 Å |
| c | 22.5105 ± 0.0003 Å |
| α | 90° |
| β | 94.189 ± 0.002° |
| γ | 90° |
| Cell volume | 3123.32 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/89. |
2228915.cif 2228915.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228915.cif 2228915.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228915.cif 2228915.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. | 2228915.cif 2228915.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228915.cif 2228915.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228915.cif 2228915.hkl |
| 10171 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228915 via cif-deposit CGI script. |
2228915.cif |
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Users of the data should acknowledge the original authors of the
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