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Information card for entry 4071219
Preview
| Coordinates | 4071219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H66 Si6 Zr |
|---|---|
| Calculated formula | C54 H66 Si6 Zr |
| SMILES | [Zr]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)([cH]1[cH]8[cH]7[cH]6[cH]51)C(=C(C(=C9[Si]([Si](C)(C)C)([Si](C)(C)C)C#Cc1ccccc1)c1ccccc1)c1ccccc1)[Si]([Si](C)(C)C)([Si](C)(C)C)C#Cc1ccccc1 |
| Title of publication | Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes |
| Authors of publication | Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 2570 |
| a | 19.039 ± 0.004 Å |
| b | 9.6121 ± 0.0019 Å |
| c | 30.102 ± 0.006 Å |
| α | 90° |
| β | 93.73 ± 0.03° |
| γ | 90° |
| Cell volume | 5497.1 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1206 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178601 (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 4/07/12. |
4071219.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071219.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071219.cif |
| 43104 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071209, 4071210, 4071211, 4071212, 4071213, 4071214, 4071215, 4071216, 4071217, 4071218, 4071219, 4071220, 4071221, 4071222 via cif-deposit CGI script. |
4071219.cif |
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Users of the data should acknowledge the original authors of the
structural data.