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Information card for entry 7704168
Preview
| Coordinates | 7704168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H15 Be Br2 N |
|---|---|
| Calculated formula | C6 H15 Be Br2 N |
| Title of publication | Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium. |
| Authors of publication | Buchner, Magnus R.; Müller, Matthias; Spang, Nils |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 23 |
| Pages of publication | 7708 - 7712 |
| a | 7.8122 ± 0.0003 Å |
| b | 9.8904 ± 0.0003 Å |
| c | 13.0159 ± 0.0005 Å |
| α | 90° |
| β | 93.991 ± 0.003° |
| γ | 90° |
| Cell volume | 1003.24 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0191 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7704168.cif |
| 253915 | 2020-07-06 | cif/ Updating files of 7704167, 7704168, 7704169, 7704170, 7704171, 7704172 Original log message: Adding full bibliography for 7704167--7704172.cif. |
7704168.cif |
| 251116 | 2020-04-24 | cif/ Adding structures of 7704167, 7704168, 7704169, 7704170, 7704171, 7704172 via cif-deposit CGI script. |
7704168.cif |
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Users of the data should acknowledge the original authors of the
structural data.