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Information card for entry 2229951
Preview
| Coordinates | 2229951.cif |
|---|---|
| Structure factors | 2229951.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(ethylenediamine)cobalt(III) diformatodioxalatoindate(III) dihydrate |
|---|---|
| Formula | C12 H30 Co In N6 O14 |
| Calculated formula | C12 H30 Co In N6 O14 |
| SMILES | [In]12(OC(=O)C(O1)=O)(OC(=O)C(=O)O2)(OC=O)OC=O.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[OH2].O |
| Title of publication | Tris(ethylenediamine)cobalt(III) diformatodioxalatoindate(III) dihydrate |
| Authors of publication | Tong, Juying; Pan, Qinhe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m579 - m580 |
| a | 8.2048 ± 0.0016 Å |
| b | 12.016 ± 0.002 Å |
| c | 12.052 ± 0.002 Å |
| α | 79.09 ± 0.03° |
| β | 81.45 ± 0.03° |
| γ | 88.43 ± 0.03° |
| Cell volume | 1153.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0834 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181220 (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 2/22/99. |
2229951.cif 2229951.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. |
2229951.cif 2229951.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229951.cif 2229951.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. | 2229951.cif 2229951.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229951.cif 2229951.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2229951.cif 2229951.hkl |
| 20007 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2229951 via cif-deposit CGI script. |
2229951.cif |
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Users of the data should acknowledge the original authors of the
structural data.