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Information card for entry 4085350
Preview
| Coordinates | 4085350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H46 Si4 Zr |
|---|---|
| Calculated formula | C30 H44.25 Si4 Zr |
| Title of publication | Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes |
| Authors of publication | Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2471 |
| a | 14.014 ± 0.003 Å |
| b | 23.494 ± 0.005 Å |
| c | 20.568 ± 0.004 Å |
| α | 90° |
| β | 101.149 ± 0.004° |
| γ | 90° |
| Cell volume | 6644 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1641 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178742 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53. |
4085350.cif |
| 152897 | 2015-08-05 | cif/ Updating files of 4085350, 4085351, 4085352, 4085353, 4085354 Original log message: Adding full bibliography for 4085350--4085354.cif. |
4085350.cif |
| 130842 | 2015-02-04 | cif/ Adding structures of 4085350, 4085351, 4085352, 4085353, 4085354 via cif-deposit CGI script. |
4085350.cif |
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Users of the data should acknowledge the original authors of the
structural data.