Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106283
Preview
| Coordinates | 8106283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H10 Cl2 Fe N2 O2 |
|---|---|
| Calculated formula | C4 H10 Cl2 Fe N2 O2 |
| Title of publication | Crystal structure of bis(acetonitrile)-diaqua-dichloridoiron(II), C4H10Cl2N2O2Fe |
| Authors of publication | Zuo, Jian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 751 - 752 |
| a | 7.8501 ± 0.001 Å |
| b | 7.8289 ± 0.001 Å |
| c | 8.2974 ± 0.0017 Å |
| α | 90° |
| β | 97.84 ± 0.002° |
| γ | 90° |
| Cell volume | 505.17 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279604 (current) | 2022-11-28 | cif/ Adding structures of 8106283 via cif-deposit CGI script. |
8106283.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.