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Information card for entry 4071279
Preview
| Coordinates | 4071279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H54 Si4 Ti |
|---|---|
| Calculated formula | C30 H54 Si4 Ti |
| SMILES | [Ti]123456789%10([c]%11([Si]([Si]([c]%125[c]6([c]7([c]8([c]9%12C)C)C)C)(C)C)(C)C)[c]1([c]2([c]3([C]4%11C)C)C)C)C(=C%10[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Reactivity of SiMe2H Substituents in Permethylated Titanocene Complexes: Dehydrocoupling and Ethene Hydrosilylation |
| Authors of publication | Horáček, Michal; Pinkas, Jiří; Gyepes, Róbert; Kubišta, Jiří; Mach, Karel |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 2635 |
| a | 9.0743 ± 0.0002 Å |
| b | 11.6767 ± 0.0004 Å |
| c | 16.9712 ± 0.0005 Å |
| α | 77.7294 ± 0.0014° |
| β | 75.2076 ± 0.0016° |
| γ | 75.1488 ± 0.0018° |
| Cell volume | 1659.61 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
4071279.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071279.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071279.cif |
| 43135 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071278, 4071279, 4071280 via cif-deposit CGI script. |
4071279.cif |
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Users of the data should acknowledge the original authors of the
structural data.