Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7002940
Preview
| Coordinates | 7002940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(2-amino-3,5-dibromopyridinium) tetrabromocuprate |
|---|---|
| Chemical name | bis(2-amino-3,5-dibromopyridinium) tetrabromocuprate |
| Formula | C10 H10 Br8 Cu N4 |
| Calculated formula | C10 H10 Br8 Cu N4 |
| SMILES | [Cu](Br)(Br)([Br-])[Br-].[nH+]1c(N)c(cc(c1)Br)Br.[nH+]1c(N)c(cc(c1)Br)Br |
| Title of publication | Transition metal complexes of 2-amino-3,5-dihalopyridines: Syntheses, structures and magnetic properties of (3,5-diCAPH)2CuX4 and (3,5-diBAPH)2CuX4 |
| Authors of publication | Tremelling, Grant W.; Foxman, Bruce M.; Landee, Christopher P.; Turnbull, Mark M.; Willett, Roger D. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 47 |
| Pages of publication | 10518 - 10526 |
| a | 11.587 ± 0.0011 Å |
| b | 11.5942 ± 0.0011 Å |
| c | 16.5555 ± 0.0015 Å |
| α | 90° |
| β | 107.096 ± 0.002° |
| γ | 90° |
| Cell volume | 2125.8 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0874 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179733 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/29. |
7002940.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002940.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002940.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002940.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.