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Information card for entry 7121854
Preview
| Coordinates | 7121854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C65 H64 B Cl F20 Mg N2 O Si2 |
|---|---|
| Calculated formula | C65 H64 B Cl F20 Mg N2 O Si2 |
| Title of publication | Unsupported metal silyl ether coordination. |
| Authors of publication | Pahl, Jürgen; Elsen, Holger; Friedrich, Alexander; Harder, Sjoerd |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 56 |
| Pages of publication | 7846 - 7849 |
| a | 13.3518 ± 0.0006 Å |
| b | 14.4685 ± 0.0007 Å |
| c | 17.3377 ± 0.0007 Å |
| α | 98.233 ± 0.004° |
| β | 97.872 ± 0.004° |
| γ | 90.686 ± 0.004° |
| Cell volume | 3281.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121854.cif |
| 228139 | 2019-11-17 | cif/ Updating files of 7121854 Original log message: Adding full bibliography for 7121854.cif. |
7121854.cif |
| 208499 | 2018-06-19 | cif/ Adding structures of 7121854 via cif-deposit CGI script. |
7121854.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.