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Information card for entry 4088654
Preview
| Coordinates | 4088654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H10 Mn |
|---|---|
| Calculated formula | C10 H10 Mn |
| Title of publication | Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes |
| Authors of publication | Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1986 |
| a | 14.9991 ± 0.0006 Å |
| b | 9.8929 ± 0.0004 Å |
| c | 11.4925 ± 0.0005 Å |
| α | 90° |
| β | 111.814 ± 0.005° |
| γ | 90° |
| Cell volume | 1583.2 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088654.cif |
| 237750 | 2019-11-24 | cif/ Adding structures of 4088650, 4088651, 4088652, 4088653, 4088654 via cif-deposit CGI script. |
4088654.cif |
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Users of the data should acknowledge the original authors of the
structural data.