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Information card for entry 7712663
Preview
| Coordinates | 7712663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H18 Be I2 P2 |
|---|---|
| Calculated formula | C6 H18 Be I2 P2 |
| SMILES | I[Be]([P](C)(C)C)(I)[P](C)(C)C |
| Title of publication | Ligand exchange at tetra-coordinated beryllium centres |
| Authors of publication | Buchner, Magnus Richard; Cocic, Dusan; Ivlev, Sergei; Spang, Nils; Müller, Matthias; Puchta, Ralph |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 12.59 ± 0.003 Å |
| b | 16.31 ± 0.003 Å |
| c | 14.45 ± 0.003 Å |
| α | 90° |
| β | 92.6 ± 0.03° |
| γ | 90° |
| Cell volume | 2964.2 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282029 (current) | 2023-03-24 | cif/ Adding structures of 7712661, 7712662, 7712663, 7712664, 7712665, 7712666, 7712667 via cif-deposit CGI script. |
7712663.cif |
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Users of the data should acknowledge the original authors of the
structural data.