Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575547
Preview
| Coordinates | 1575547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H32 Cl2 Fe3 |
|---|---|
| Calculated formula | C37 H32 Cl2 Fe3 |
| Title of publication | An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems |
| Authors of publication | Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.8646 ± 0.0016 Å |
| b | 11.9852 ± 0.0017 Å |
| c | 13.0247 ± 0.0018 Å |
| α | 78.104 ± 0.013° |
| β | 64.935 ± 0.015° |
| γ | 60.235 ± 0.014° |
| Cell volume | 1456.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301915 (current) | 2025-08-28 | cif/ Adding structures of 1575546, 1575547, 1575548 via cif-deposit CGI script. |
1575547.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.