Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2216199
Preview
| Coordinates | 2216199.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Triacetonitrile(1,1,4,7,7-pentamethyldiethylenetriamine)nickel(II) bis(hexafluoridophosphate) |
|---|---|
| Formula | C15 H32 F12 N6 Ni P2 |
| Calculated formula | C15 H32 F12 N6 Ni P2 |
| Title of publication | Triacetonitrile(1,1,4,7,7-pentamethyldiethylenetriamine)nickel(II) bis(hexafluoridophosphate) |
| Authors of publication | Morawitz, Thorsten; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 12 |
| Pages of publication | o4551 - o4551 |
| a | 17.4418 ± 0.0008 Å |
| b | 10.5913 ± 0.0006 Å |
| c | 15.7326 ± 0.0008 Å |
| α | 90° |
| β | 110.921 ± 0.004° |
| γ | 90° |
| Cell volume | 2714.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301804 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/21 Each referenced PubChem compound corresponds to the full crystal structure. |
2216199.cif |
| 176787 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21. |
2216199.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2216199.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2216199.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2216199.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2216199.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2216199.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.