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Information card for entry 7012891
Preview
| Coordinates | 7012891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | B-tris(E-trichlorosilylvinyl)borazine |
|---|---|
| Formula | C6 H9 B3 Cl9 N3 Si3 |
| Calculated formula | C6 H9 B3 Cl9 N3 Si3 |
| SMILES | Cl[Si](Cl)(Cl)/C=C/B1NB(NB(N1)/C=C/[Si](Cl)(Cl)Cl)/C=C/[Si](Cl)(Cl)Cl |
| Title of publication | Functionalized borazines as precursors for new silica gels |
| Authors of publication | Jörg Haberecht; Anja Krummland; Frank Breher; Björn Gebhardt; Heinz Rüegger; Reinhard Nesper; Hansjörg Grützmacher |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 11 |
| Pages of publication | 2126 - 2132 |
| a | 13.2678 ± 0.0016 Å |
| b | 11.1725 ± 0.0013 Å |
| c | 15.6744 ± 0.0017 Å |
| α | 90° |
| β | 92.25 ± 0.004° |
| γ | 90° |
| Cell volume | 2321.7 ± 0.5 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0854 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7012891.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012891.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7012891.cif |
| 179832 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/28. |
7012891.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012891.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012891.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012891.cif |
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