Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228467
Preview
| Coordinates | 2228467.cif |
|---|---|
| Structure factors | 2228467.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II) |
|---|---|
| Formula | C8 H15 Cl4 Cu N3 |
| Calculated formula | C8 H15 Cl4 Cu N3 |
| SMILES | [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+]12CC[N+](CC#N)(CC1)CC2 |
| Title of publication | 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II) |
| Authors of publication | Wei, Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1625 |
| a | 8.2714 ± 0.0006 Å |
| b | 13.6585 ± 0.0008 Å |
| c | 12.1636 ± 0.001 Å |
| α | 90° |
| β | 96.501 ± 0.005° |
| γ | 90° |
| Cell volume | 1365.35 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (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 2/22/84. |
2228467.cif 2228467.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. |
2228467.cif 2228467.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228467.cif 2228467.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. | 2228467.cif 2228467.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228467.cif 2228467.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228467.cif 2228467.hkl |
| 5790 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228462, 2228463, 2228464, 2228465, 2228466, 2228467, 2228468, 2228469, 2228470, 2228471 via cif-deposit CGI script. |
2228467.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.