Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102212
Preview
| Coordinates | 8102212.cif |
|---|
| Chemical name | 1,10-phenanthrolinium tetrachloro-1,10-phenanthroline-ferrate(III) |
|---|---|
| Formula | C24 H17 Cl4 Fe N4 |
| Calculated formula | C24 H17 Cl4 Fe N4 |
| SMILES | [Fe]1([n]2cccc3ccc4ccc[n]1c4c23)(Cl)(Cl)(Cl)Cl.c1ccc2ccc3cccnc3c2[nH+]1 |
| Title of publication | Refinement of the crystal structure of 1,10-phenanthrolinium tetrachloro(1,10-phenanthroline)ferrate(III), (C12H9N2)[FeCl4(C12H8N2)] |
| Authors of publication | Hamid R. Khavasi; Vahid Amani; Nasser Safari |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 1 |
| Pages of publication | 41 |
| a | 8.694 ± 0.003 Å |
| b | 11.306 ± 0.004 Å |
| c | 12.802 ± 0.004 Å |
| α | 111.08 ± 0.02° |
| β | 96.22 ± 0.02° |
| γ | 93.68 ± 0.03° |
| Cell volume | 1160 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102212.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102212.cif |
| 12951 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102212 via cif-deposit CGI script. |
8102212.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.