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Information card for entry 4074219
Preview
| Coordinates | 4074219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium |
|---|---|
| Chemical name | Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium |
| Formula | C18 H28 B N Si2 V |
| Calculated formula | C18 H28 B N Si2 V |
| SMILES | [V]123456789%10%11[c]%12(B(N([Si](C)(C)C)[Si](C)(C)C)C%135[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%11%13)[cH]1[cH]2[cH]3[cH]4%12 |
| Title of publication | Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4] |
| Authors of publication | Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 19 |
| Pages of publication | 4433 |
| a | 15.0474 ± 0.0006 Å |
| b | 12.3241 ± 0.0005 Å |
| c | 10.9891 ± 0.0004 Å |
| α | 90° |
| β | 107.566 ± 0.002° |
| γ | 90° |
| Cell volume | 1942.85 ± 0.13 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178631 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42. |
4074219.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074219.cif |
| 48257 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074217, 4074218, 4074219 via cif-deposit CGI script. |
4074219.cif |
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