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Information card for entry 2227249
Preview
| Coordinates | 2227249.cif |
|---|---|
| Structure factors | 2227249.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tris[2-ethoxy-6-(methyliminomethyl)phenolato- κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) monohydrate |
|---|---|
| Formula | C30 H38 Co N3 O7 |
| Calculated formula | C30 H38 Co N3 O7 |
| Title of publication | Tris[2-ethoxy-6-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^]cobalt(III) monohydrate |
| Authors of publication | Huang, Yin Dan; Zhang, Shu-Hua; Qin, Jiang Ke; Chen, Fu Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1399 |
| a | 14.022 ± 0.005 Å |
| b | 16.969 ± 0.006 Å |
| c | 14.233 ± 0.005 Å |
| α | 90° |
| β | 117.857 ± 0.004° |
| γ | 90° |
| Cell volume | 2994.1 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227249.cif 2227249.hkl |
| 181193 | 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 2/22/72. |
2227249.cif 2227249.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. |
2227249.cif 2227249.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227249.cif 2227249.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. | 2227249.cif 2227249.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227249.cif 2227249.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227249.cif 2227249.hkl |
| 4286 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227249 via cif-deposit CGI script. |
2227249.cif |
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Users of the data should acknowledge the original authors of the
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