Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227116
Preview
| Coordinates | 2227116.cif |
|---|---|
| Structure factors | 2227116.hkl |
| Original IUCr paper | HTML |
| Chemical name | tripotassium <i>trans</i>-tetracyanidodioxidotechnetate(V) |
|---|---|
| Formula | C4 K3 N4 O2 Tc |
| Calculated formula | C4 K3 N4 O2 Tc |
| SMILES | [Tc](=O)(=O)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+] |
| Title of publication | <i>trans</i>-K~3~[TcO~2~(CN)~4~] |
| Authors of publication | Chatterjee, Sayandev; Del Negro, Andrew S.; Edwards, Matthew K.; Twamley, Brendan; Krause, Jeanette A.; Bryan, Samuel A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | i61 - i62 |
| a | 6.2539 ± 0.0006 Å |
| b | 6.9389 ± 0.0006 Å |
| c | 7.4347 ± 0.0007 Å |
| α | 108.305 ± 0.001° |
| β | 109.816 ± 0.002° |
| γ | 104.143 ± 0.001° |
| Cell volume | 265.01 ± 0.04 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0484 |
| Weighted residual factors for all reflections included in the refinement | 0.0487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181192 (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 2/22/71. |
2227116.cif 2227116.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. |
2227116.cif 2227116.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227116.cif 2227116.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. | 2227116.cif 2227116.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227116.cif 2227116.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227116.cif 2227116.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227116.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.