Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022655
Preview
| Coordinates | 2022655.cif |
|---|---|
| Structure factors | 2022655.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>SR</i>)-4,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) tetrachloridoferrate |
|---|---|
| Formula | C14 H32 Cl6 Fe2 N4 |
| Calculated formula | C14 H32 Cl6 Fe2 N4 |
| Title of publication | Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) |
| Authors of publication | DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 9 |
| Pages of publication | 507 - 514 |
| a | 20.3512 ± 0.0013 Å |
| b | 6.4815 ± 0.0004 Å |
| c | 18.049 ± 0.001 Å |
| α | 90° |
| β | 100.452 ± 0.003° |
| γ | 90° |
| Cell volume | 2341.3 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277477 (current) | 2022-08-31 | cif/ hkl/ Adding structures of 2022655, 2022656, 2022657 via cif-deposit CGI script. |
2022655.cif 2022655.hkl |
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.