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Information card for entry 4066237
Preview
| Coordinates | 4066237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H40 Cl Si2 Ti |
|---|---|
| Calculated formula | C24 H40 Cl Si2 Ti |
| SMILES | [Ti]123456789(Cl)[c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)[Si](CC[Si]([c]15[c]6([c]7([c]8([c]91C)C)C)C)(C)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 | 8.6462 ± 0.0003 Å |
| b | 9.6866 ± 0.0002 Å |
| c | 16.503 ± 0.0005 Å |
| α | 84.7673 ± 0.0018° |
| β | 78.7793 ± 0.0016° |
| γ | 68.0239 ± 0.0017° |
| Cell volume | 1256.98 ± 0.07 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
4066237.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066237.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066237.cif |
| 33835 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066235, 4066236, 4066237, 4066238, 4066239, 4066240 via cif-deposit CGI script. |
4066237.cif |
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Users of the data should acknowledge the original authors of the
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