Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2226347
Preview
| Coordinates | 2226347.cif |
|---|---|
| Structure factors | 2226347.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,2'-(2,6,9,13-Tetraazatetradecane-1,14-diyl)diphenolato]iron(III) iodide |
|---|---|
| Formula | C22 H32 Fe I N4 O2 |
| Calculated formula | C22 H32 Fe I N4 O2 |
| SMILES | [I-].[Fe]12345Oc6ccccc6C[NH]2CCC[NH]3CC[NH]5CCC[NH]4Cc2c(O1)cccc2 |
| Title of publication | [2,2'-(2,6,9,13-Tetraazatetradecane-1,14-diyl)diphenolato]iron(III) iodide |
| Authors of publication | Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma; Yisgedu, Teshome |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | m711 - m712 |
| a | 9.3958 ± 0.0001 Å |
| b | 13.0509 ± 0.0001 Å |
| c | 19.4047 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2379.48 ± 0.05 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181184 (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 2/22/63. |
2226347.cif 2226347.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2226347.cif 2226347.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226347.cif 2226347.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. | 2226347.cif 2226347.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226347.cif 2226347.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226347.cif 2226347.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226347.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.