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Information card for entry 4066240
Preview
| Coordinates | 4066240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H58 Si4 Ti |
|---|---|
| Calculated formula | C32 H58 Si4 Ti |
| SMILES | [Ti]123456789%10([c]%11([Si](CC[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 | Reduction-Induced Exclusive Activation of theansa-1,2-Bis(dimethylsilylene)ethane Chain inansa-Permethyltitanocene Compounds§ |
| Authors of publication | Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5199 |
| a | 22.4564 ± 0.0002 Å |
| b | 18.2057 ± 0.0002 Å |
| c | 17.3225 ± 0.0002 Å |
| α | 90° |
| β | 93.4444 ± 0.0006° |
| γ | 90° |
| Cell volume | 7069.24 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178554 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/62. |
4066240.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066240.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066240.cif |
| 33835 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066235, 4066236, 4066237, 4066238, 4066239, 4066240 via cif-deposit CGI script. |
4066240.cif |
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Users of the data should acknowledge the original authors of the
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