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Information card for entry 7700467
Preview
| Coordinates | 7700467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (THF)Na[(Xbic)SiPh] . 2 THF |
|---|---|
| Chemical name | (Tetrahydrofuran)sodium(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldimine)(phenyl)silicate) bis(tetrahydrofuran) solvate |
| Formula | C63 H81 N2 Na O8 Si |
| Calculated formula | C63 H81 N2 Na O8 Si |
| SMILES | [N]12=Cc3c4[O]5[Na]671([N](=Cc1c8[O]6[Si]5(Oc4c(cc3C(C)(C)C)C(C)(C)C)(Oc8c(cc1C(C)(C)C)C(C)(C)C)c1ccccc1)c1cccc3c1[O]7c1c(cccc21)C3(C)C)[O]1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand. |
| Authors of publication | Do, Thomas H.; Brown, Seth N. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 30 |
| Pages of publication | 11565 - 11574 |
| a | 16.104 ± 0.002 Å |
| b | 19.806 ± 0.003 Å |
| c | 17.777 ± 0.002 Å |
| α | 90° |
| β | 94.068 ± 0.002° |
| γ | 90° |
| Cell volume | 5655.8 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7700467.cif |
| 224340 | 2019-11-08 | cif/ Updating files of 7700466, 7700467, 7700468, 7700469, 7700470 Original log message: Adding full bibliography for 7700466--7700470.cif. |
7700467.cif |
| 216780 | 2019-07-06 | cif/ Adding structures of 7700466, 7700467, 7700468, 7700469, 7700470 via cif-deposit CGI script. |
7700467.cif |
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