Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235024
Preview
| Coordinates | 2235024.cif |
|---|---|
| Structure factors | 2235024.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Dibutyl-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethane-1,2-diaminium μ-oxido-bis[trichloridoferrate(III)] |
|---|---|
| Formula | C14 H34 Cl6 Fe2 N2 O |
| Calculated formula | C14 H34 Cl6 Fe2 N2 O |
| Title of publication | <i>N</i>,<i>N</i>'-Dibutyl-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diaminium μ-oxido-bis[trichloridoferrate(III)] |
| Authors of publication | Närhi, Sari M.; Kostamo, Jatta; Asikkala, Janne; Oilunkaniemi, Raija; Laitinen, Risto S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m748 |
| a | 8.9803 ± 0.0018 Å |
| b | 14.689 ± 0.003 Å |
| c | 19.249 ± 0.004 Å |
| α | 81.75 ± 0.03° |
| β | 87.66 ± 0.03° |
| γ | 80.32 ± 0.03° |
| Cell volume | 2476.7 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0566 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235024.cif 2235024.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. |
2235024.cif 2235024.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235024.cif 2235024.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. | 2235024.cif 2235024.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235024.cif 2235024.hkl |
| 61672 | 2012-07-05 | cif/ Adding structures of 2235024 via cif-deposit CGI script. |
2235024.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.