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Information card for entry 4078439
Preview
| Coordinates | 4078439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H82 Hf K O6 Si8 |
|---|---|
| Calculated formula | C38 H82 Hf K O6 Si8 |
| SMILES | [Hf]123456789([Si]([Si]([Si]([Si]1([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6 |
| Title of publication | Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3. |
| Authors of publication | Arp, Henning; Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith; Rasmussen, Kenneth; Zark, Patrick; Müller, Thomas |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 11 |
| Pages of publication | 4309 - 4319 |
| a | 11.06 ± 0.002 Å |
| b | 13.291 ± 0.003 Å |
| c | 21.226 ± 0.004 Å |
| α | 77.47 ± 0.03° |
| β | 81.03 ± 0.03° |
| γ | 70.17 ± 0.03° |
| Cell volume | 2853.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178673 (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 4/07/84. |
4078439.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078439.cif |
| 62388 | 2012-07-07 | cif/ Adding structures of 4078436, 4078437, 4078438, 4078439, 4078440 via cif-deposit CGI script. |
4078439.cif |
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Users of the data should acknowledge the original authors of the
structural data.