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Information card for entry 7250089
Preview
| Coordinates | 7250089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TDBBF_1 |
|---|---|
| Formula | C20 H16 Br2 Fe2 |
| Calculated formula | C20 H16 Br2 Fe2 |
| Title of publication | Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts |
| Authors of publication | Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 2371 - 2381 |
| a | 9.4872 ± 0.0013 Å |
| b | 7.4956 ± 0.001 Å |
| c | 12.2757 ± 0.0016 Å |
| α | 90° |
| β | 104.888 ± 0.002° |
| γ | 90° |
| Cell volume | 843.6 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300725 (current) | 2025-07-06 | cif/ Updating files of 7250089, 7250090, 7250091, 7250092 Original log message: Adding full bibliography for 7250089--7250092.cif. |
7250089.cif |
| 298383 | 2025-03-12 | cif/ Adding structures of 7250089, 7250090, 7250091, 7250092 via cif-deposit CGI script. |
7250089.cif |
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Users of the data should acknowledge the original authors of the
structural data.