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Information card for entry 7047764
Preview
| Coordinates | 7047764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H52 Be6 Cl4 O14 |
|---|---|
| Calculated formula | C48 H52 Be6 Cl4 O14 |
| Title of publication | The coordination behaviour and reactivity of partially silicon based crown ethers towards beryllium chloride. |
| Authors of publication | Buchner, Magnus R.; Müller, Matthias; Dankert, Fabian; Reuter, Kirsten; von Hänisch, Carsten |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 46 |
| Pages of publication | 16393 - 16397 |
| a | 9.8872 ± 0.0005 Å |
| b | 12.0013 ± 0.0006 Å |
| c | 12.2122 ± 0.0006 Å |
| α | 108.235 ± 0.002° |
| β | 103.883 ± 0.002° |
| γ | 106.623 ± 0.002° |
| Cell volume | 1229.35 ± 0.11 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047764.cif |
| 229635 | 2019-11-17 | cif/ Updating files of 7047763, 7047764 Original log message: Adding full bibliography for 7047763--7047764.cif. |
7047764.cif |
| 211438 | 2018-10-13 | cif/ Adding structures of 7047763, 7047764 via cif-deposit CGI script. |
7047764.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.