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Information card for entry 7700014
Preview
| Coordinates | 7700014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C65 H115 Si10 |
|---|---|
| Calculated formula | C65 H115 Si10 |
| Title of publication | The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative. |
| Authors of publication | Sugahara, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 25 |
| Pages of publication | 9053 - 9056 |
| a | 12.9911 ± 0.0003 Å |
| b | 38.3496 ± 0.0006 Å |
| c | 14.8258 ± 0.0003 Å |
| α | 90° |
| β | 93.937 ± 0.002° |
| γ | 90° |
| Cell volume | 7368.8 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0674 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7700014.cif |
| 224203 | 2019-11-08 | cif/ Updating files of 7700013, 7700014, 7700015 Original log message: Adding full bibliography for 7700013--7700015.cif. |
7700014.cif |
| 215291 | 2019-05-18 | cif/ Adding structures of 7700013, 7700014, 7700015 via cif-deposit CGI script. |
7700014.cif |
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Users of the data should acknowledge the original authors of the
structural data.